20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine

C314H240N8 — CID 159506082

IUPAC20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)C(C)(C)c2cc3c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5c5ccccc5c3cc2-4)cc1.CC1(C)c2cc3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c3cc21.CC1(C)c2cc3c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)ccc4c3cc21.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)C(C)(C)c2cc3c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5c5ccccc5c3cc2-4)cc(C)c1C
InChIInChI=1S/2C79H52N2.C79H76N2.C77H60N2/c1-79(2)77-47-73-67-37-35-61(80(57-31-27-49-15-3-7-19-53(49)39-57)58-32-28-50-16-4-8-20-54(50)40-58)43-69(67)63-23-11-13-25-65(63)71(73)45-75(77)76-46-72-66-26-14-12-24-64(66)70-44-62(36-38-68(70)74(72)48-78(76)79)81(59-33-29-51-17-5-9-21-55(51)41-59)60-34-30-52-18-6-10-22-56(52)42-60;1-79(2)75-47-71-65-39-37-57(80(55-35-33-49-17-3-5-21-53(49)41-55)77-31-15-23-51-19-7-9-25-59(51)77)43-67(65)61-27-11-13-29-63(61)69(71)45-73(75)74-46-70-64-30-14-12-28-62(64)68-44-58(38-40-66(68)72(70)48-76(74)79)81(56-36-34-50-18-4-6-22-54(50)42-56)78-32-16-24-52-20-8-10-26-60(52)78;1-75(2,3)49-23-31-53(32-24-49)80(54-33-25-50(26-34-54)76(4,5)6)57-39-41-63-65(43-57)59-19-15-17-21-61(59)67-45-71-72-46-68-62-22-18-16-20-60(62)66-44-58(40-42-64(66)70(68)48-74(72)79(13,14)73(71)47-69(63)67)81(55-35-27-51(28-36-55)77(7,8)9)56-37-29-52(30-38-56)78(10,11)12;1-45-34-57(35-46(2)49(45)5)78(58-36-47(3)50(6)48(4)37-58)55-30-32-64-66(39-55)60-23-13-15-25-62(60)68-41-72-73-42-69-63-26-16-14-24-61(63)67-40-56(31-33-65(67)71(69)44-75(73)77(7,8)74(72)43-70(64)68)79(54-29-28-51-18-9-10-20-53(51)38-54)76-27-17-21-52-19-11-12-22-59(52)76/h2*3-48H,1-2H3;15-48H,1-14H3;9-44H,1-8H3
InChIKeyLZZSBIXPBCKMIO-UHFFFAOYSA-N
MW4125.43 g/mol
LogP89.98
Rot. Bonds24

About 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine

20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine (PubChem CID 159506082) has the molecular formula C314H240N8 and a molecular weight of 4125.43 g/mol. Its IUPAC name is 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine.

Molecular Properties

Compound Name20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine
PubChem CID159506082
Molecular FormulaC314H240N8
Molecular Weight4125.43 g/mol
Exact Mass4121.90
IUPAC Name20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)C(C)(C)c2cc3c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5c5ccccc5c3cc2-4)cc1.CC1(C)c2cc3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c3cc21.CC1(C)c2cc3c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)ccc4c3cc21.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)C(C)(C)c2cc3c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5c5ccccc5c3cc2-4)cc(C)c1C
InChIInChI=1S/2C79H52N2.C79H76N2.C77H60N2/c1-79(2)77-47-73-67-37-35-61(80(57-31-27-49-15-3-7-19-53(49)39-57)58-32-28-50-16-4-8-20-54(50)40-58)43-69(67)63-23-11-13-25-65(63)71(73)45-75(77)76-46-72-66-26-14-12-24-64(66)70-44-62(36-38-68(70)74(72)48-78(76)79)81(59-33-29-51-17-5-9-21-55(51)41-59)60-34-30-52-18-6-10-22-56(52)42-60;1-79(2)75-47-71-65-39-37-57(80(55-35-33-49-17-3-5-21-53(49)41-55)77-31-15-23-51-19-7-9-25-59(51)77)43-67(65)61-27-11-13-29-63(61)69(71)45-73(75)74-46-70-64-30-14-12-28-62(64)68-44-58(38-40-66(68)72(70)48-76(74)79)81(56-36-34-50-18-4-6-22-54(50)42-56)78-32-16-24-52-20-8-10-26-60(52)78;1-75(2,3)49-23-31-53(32-24-49)80(54-33-25-50(26-34-54)76(4,5)6)57-39-41-63-65(43-57)59-19-15-17-21-61(59)67-45-71-72-46-68-62-22-18-16-20-60(62)66-44-58(40-42-64(66)70(68)48-74(72)79(13,14)73(71)47-69(63)67)81(55-35-27-51(28-36-55)77(7,8)9)56-37-29-52(30-38-56)78(10,11)12;1-45-34-57(35-46(2)49(45)5)78(58-36-47(3)50(6)48(4)37-58)55-30-32-64-66(39-55)60-23-13-15-25-62(60)68-41-72-73-42-69-63-26-16-14-24-61(63)67-40-56(31-33-65(67)71(69)44-75(73)77(7,8)74(72)43-70(64)68)79(54-29-28-51-18-9-10-20-53(51)38-54)76-27-17-21-52-19-11-12-22-59(52)76/h2*3-48H,1-2H3;15-48H,1-14H3;9-44H,1-8H3
InChIKeyLZZSBIXPBCKMIO-UHFFFAOYSA-N
XLogP89.98
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms322
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004125.43
LogP ≤ 589.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine with MolForge

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Related Compounds

21,21-dimethyl-18-N,18-N-dinaphthalen-1-yl-5-N,5-N-dinaphthalen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-5-N,5-N-dinaphthalen-1-yl-18-N-naphthalen-2-yl-18-N-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;bis(21,21-dimethyl-5-N-naphthalen-1-yl-5-N,18-N-dinaphthalen-2-yl-18-N-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine);21,21-dimethyl-18-N-naphthalen-1-yl-5-N,5-N-dinaphthalen-2-yl-18-N-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-18-N-naphthalen-1-yl-5-N,5-N,18-N-trinaphthalen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-5-N,5-N,18-N,18-N-tetranaphthalen-1-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-5-N,5-N,18-N,18-N-tetranaphthalen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 159274799
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59782322
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 157364390
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine
CID 171052217
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 90140184
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290148

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine?
The IUPAC name of 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine (CID 159506082) is 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine.
What is the SMILES notation for 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine?
The canonical SMILES for 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)C(C)(C)c2cc3c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5c5ccccc5c3cc2-4)cc1.CC1(C)c2cc3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c3cc21.CC1(C)c2cc3c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)ccc4c3cc21.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c(c2)c2ccccc2c2cc4c(cc32)C(C)(C)c2cc3c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5c5ccccc5c3cc2-4)cc(C)c1C.
What is the InChIKey of 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine?
The InChIKey is LZZSBIXPBCKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C79H52N2.C79H76N2.C77H60N2/c1-79(2)77-47-73-67-37-35-61(80(57-31-27-49-15-3-7-19-53(49)39-57)58-32-28-50-16-4-8-20-54(50)40-58)43-69(67)63-23-11-13-25-65(63)71(73)45-75(77)76-46-72-66-26-14-12-24-64(66)70-44-62(36-38-68(70)74(72)48-78(76)79)81(59-33-29-51-17-5-9-21-55(51)41-59)60-34-30-52-18-6-10-22-56(52)42-60;1-79(2)75-47-71-65-39-37-57(80(55-35-33-49-17-3-5-21-53(49)41-55)77-31-15-23-51-19-7-9-25-59(51)77)43-67(65)61-27-11-13-29-63(61)69(71)45-73(75)74-46-70-64-30-14-12-28-62(64)68-44-58(38-40-66(68)72(70)48-76(74)79)81(56-36-34-50-18-4-6-22-54(50)42-56)78-32-16-24-52-20-8-10-26-60(52)78;1-75(2,3)49-23-31-53(32-24-49)80(54-33-25-50(26-34-54)76(4,5)6)57-39-41-63-65(43-57)59-19-15-17-21-61(59)67-45-71-72-46-68-62-22-18-16-20-60(62)66-44-58(40-42-64(66)70(68)48-74(72)79(13,14)73(71)47-69(63)67)81(55-35-27-51(28-36-55)77(7,8)9)56-37-29-52(30-38-56)78(10,11)12;1-45-34-57(35-46(2)49(45)5)78(58-36-47(3)50(6)48(4)37-58)55-30-32-64-66(39-55)60-23-13-15-25-62(60)68-41-72-73-42-69-63-26-16-14-24-61(63)67-40-56(31-33-65(67)71(69)44-75(73)77(7,8)74(72)43-70(64)68)79(54-29-28-51-18-9-10-20-53(51)38-54)76-27-17-21-52-19-11-12-22-59(52)76/h2*3-48H,1-2H3;15-48H,1-14H3;9-44H,1-8H3.
What are the key properties of 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine?
20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine has a molecular weight of 4125.43 g/mol, XLogP of 89.98, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-13-N,27-N-dinaphthalen-1-yl-13-N,27-N-dinaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N-naphthalen-1-yl-13-N-naphthalen-2-yl-27-N,27-N-bis(3,4,5-trimethylphenyl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;20,20-dimethyl-13-N,13-N,27-N,27-N-tetranaphthalen-2-ylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine;13-N,13-N,27-N,27-N-tetrakis(4-tert-butylphenyl)-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene-13,27-diamine is sourced from PubChem (CID 159506082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).