1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

C200H148N4O2 — CID 158927265

IUPAC1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2cc4c5ccccc5c5ccccc5c4cc2-3)c2ccc3c(C(C)C)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4cc6c7ccccc7c7ccccc7c6cc4-5)c4ccc1c2c34.CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccc4c5ccccc5c5ccccc5c4c2-3)c2ccc3ccc4c(N(c5ccc(C(C)C)cc5)c5ccc6c(c5)C(C)(C)c5ccc7c8ccccc8c8ccccc8c7c5-6)ccc5ccc2c3c54)cc1
InChIInChI=1S/C112H80N2O2.C88H68N2/c1-63(2)91-61-103(113(67-43-39-65(40-44-67)71-33-21-35-87-83-31-17-19-37-105(83)115-109(71)87)69-47-49-81-97-57-93-77-27-13-9-23-73(77)75-25-11-15-29-79(75)95(93)59-101(97)111(5,6)99(81)55-69)89-54-52-86-92(64(3)4)62-104(90-53-51-85(91)107(89)108(86)90)114(68-45-41-66(42-46-68)72-34-22-36-88-84-32-18-20-38-106(84)116-110(72)88)70-48-50-82-98-58-94-78-28-14-10-24-74(78)76-26-12-16-30-80(76)96(94)60-102(98)112(7,8)100(82)56-70;1-51(2)53-25-33-57(34-26-53)89(59-37-41-71-77(49-59)87(5,6)75-45-43-69-65-21-11-9-17-61(65)63-19-13-15-23-67(63)83(69)85(71)75)79-47-31-55-30-40-74-80(48-32-56-29-39-73(79)81(55)82(56)74)90(58-35-27-54(28-36-58)52(3)4)60-38-42-72-78(50-60)88(7,8)76-46-44-70-66-22-12-10-18-62(66)64-20-14-16-24-68(64)84(70)86(72)76/h9-64H,1-8H3;9-52H,1-8H3
InChIKeyJIPIQEOKWUZDGZ-UHFFFAOYSA-N
MW2639.41 g/mol
LogP57.74
Rot. Bonds18

About 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 158927265) has the molecular formula C200H148N4O2 and a molecular weight of 2639.41 g/mol. Its IUPAC name is 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
PubChem CID158927265
Molecular FormulaC200H148N4O2
Molecular Weight2639.41 g/mol
Exact Mass2637.16
IUPAC Name1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2cc4c5ccccc5c5ccccc5c4cc2-3)c2ccc3c(C(C)C)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4cc6c7ccccc7c7ccccc7c6cc4-5)c4ccc1c2c34.CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccc4c5ccccc5c5ccccc5c4c2-3)c2ccc3ccc4c(N(c5ccc(C(C)C)cc5)c5ccc6c(c5)C(C)(C)c5ccc7c8ccccc8c8ccccc8c7c5-6)ccc5ccc2c3c54)cc1
InChIInChI=1S/C112H80N2O2.C88H68N2/c1-63(2)91-61-103(113(67-43-39-65(40-44-67)71-33-21-35-87-83-31-17-19-37-105(83)115-109(71)87)69-47-49-81-97-57-93-77-27-13-9-23-73(77)75-25-11-15-29-79(75)95(93)59-101(97)111(5,6)99(81)55-69)89-54-52-86-92(64(3)4)62-104(90-53-51-85(91)107(89)108(86)90)114(68-45-41-66(42-46-68)72-34-22-36-88-84-32-18-20-38-106(84)116-110(72)88)70-48-50-82-98-58-94-78-28-14-10-24-74(78)76-26-12-16-30-80(76)96(94)60-102(98)112(7,8)100(82)56-70;1-51(2)53-25-33-57(34-26-53)89(59-37-41-71-77(49-59)87(5,6)75-45-43-69-65-21-11-9-17-61(65)63-19-13-15-23-67(63)83(69)85(71)75)79-47-31-55-30-40-74-80(48-32-56-29-39-73(79)81(55)82(56)74)90(58-35-27-54(28-36-58)52(3)4)60-38-42-72-78(50-60)88(7,8)76-46-44-70-66-22-12-10-18-62(66)64-20-14-16-24-68(64)84(70)86(72)76/h9-64H,1-8H3;9-52H,1-8H3
InChIKeyJIPIQEOKWUZDGZ-UHFFFAOYSA-N
XLogP57.74
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002639.41
LogP ≤ 557.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 122663770
6-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,12-N-bis(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)chrysene-6,12-diamine;6-N,12-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 161161539
1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158203849
1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 58461954
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159445590
1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 162144769
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088984
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
1-N,6-N-di(dibenzofuran-4-yl)-4,9-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 118929937
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine (CID 158927265) is 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine is CC(C)c1cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2cc4c5ccccc5c5ccccc5c4cc2-3)c2ccc3c(C(C)C)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4cc6c7ccccc7c7ccccc7c6cc4-5)c4ccc1c2c34.CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccc4c5ccccc5c5ccccc5c4c2-3)c2ccc3ccc4c(N(c5ccc(C(C)C)cc5)c5ccc6c(c5)C(C)(C)c5ccc7c8ccccc8c8ccccc8c7c5-6)ccc5ccc2c3c54)cc1.
What is the InChIKey of 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
The InChIKey is JIPIQEOKWUZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H80N2O2.C88H68N2/c1-63(2)91-61-103(113(67-43-39-65(40-44-67)71-33-21-35-87-83-31-17-19-37-105(83)115-109(71)87)69-47-49-81-97-57-93-77-27-13-9-23-73(77)75-25-11-15-29-79(75)95(93)59-101(97)111(5,6)99(81)55-69)89-54-52-86-92(64(3)4)62-104(90-53-51-85(91)107(89)108(86)90)114(68-45-41-66(42-46-68)72-34-22-36-88-84-32-18-20-38-106(84)116-110(72)88)70-48-50-82-98-58-94-78-28-14-10-24-74(78)76-26-12-16-30-80(76)96(94)60-102(98)112(7,8)100(82)56-70;1-51(2)53-25-33-57(34-26-53)89(59-37-41-71-77(49-59)87(5,6)75-45-43-69-65-21-11-9-17-61(65)63-19-13-15-23-67(63)83(69)85(71)75)79-47-31-55-30-40-74-80(48-32-56-29-39-73(79)81(55)82(56)74)90(58-35-27-54(28-36-58)52(3)4)60-38-42-72-78(50-60)88(7,8)76-46-44-70-66-22-12-10-18-62(66)64-20-14-16-24-68(64)84(70)86(72)76/h9-64H,1-8H3;9-52H,1-8H3.
What are the key properties of 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 2639.41 g/mol, XLogP of 57.74, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 158927265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).