6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C230H188N8 — CID 159750454

IUPAC6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3.Cc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc4c2-3)C(C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3C)ccc2-5)c1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc4c2-3)C(C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3)ccc2-5)cc1
InChIInChI=1S/2C60H46N2.C56H50N2.C54H46N2/c1-59(2)51-35-33-48-47(57(51)49-31-29-43(37-53(49)59)61(41-21-7-5-8-22-41)55-27-15-19-39-17-11-13-25-45(39)55)34-36-52-58(48)50-32-30-44(38-54(50)60(52,3)4)62(42-23-9-6-10-24-42)56-28-16-20-40-18-12-14-26-46(40)56;1-59(2)53-33-31-50-49(57(53)51-29-27-47(37-55(51)59)61(43-19-7-5-8-20-43)45-25-23-39-15-11-13-17-41(39)35-45)32-34-54-58(50)52-30-28-48(38-56(52)60(54,3)4)62(44-21-9-6-10-22-44)46-26-24-40-16-12-14-18-42(40)36-46;1-35-19-28-52(38(4)30-35)58(40-17-13-10-14-18-40)42-21-23-47-51(34-42)56(7,8)49-27-25-44-45(54(47)49)24-26-48-53(44)46-22-20-41(33-50(46)55(48,5)6)57(39-15-11-9-12-16-39)43-31-36(2)29-37(3)32-43;1-35-17-21-39(22-18-35)55(37-13-9-7-10-14-37)41-25-27-45-49(33-41)53(3,4)47-31-29-44-43(51(45)47)30-32-48-52(44)46-28-26-42(34-50(46)54(48,5)6)56(38-15-11-8-12-16-38)40-23-19-36(2)20-24-40/h2*5-38H,1-4H3;9-34H,1-8H3;7-34H,1-6H3
InChIKeyNDOVUXHILWYOLW-UHFFFAOYSA-N
MW3064.09 g/mol
LogP64.03
Rot. Bonds24

About 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 159750454) has the molecular formula C230H188N8 and a molecular weight of 3064.09 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
PubChem CID159750454
Molecular FormulaC230H188N8
Molecular Weight3064.09 g/mol
Exact Mass3061.50
IUPAC Name6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3.Cc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc4c2-3)C(C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3C)ccc2-5)c1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc4c2-3)C(C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3)ccc2-5)cc1
InChIInChI=1S/2C60H46N2.C56H50N2.C54H46N2/c1-59(2)51-35-33-48-47(57(51)49-31-29-43(37-53(49)59)61(41-21-7-5-8-22-41)55-27-15-19-39-17-11-13-25-45(39)55)34-36-52-58(48)50-32-30-44(38-54(50)60(52,3)4)62(42-23-9-6-10-24-42)56-28-16-20-40-18-12-14-26-46(40)56;1-59(2)53-33-31-50-49(57(53)51-29-27-47(37-55(51)59)61(43-19-7-5-8-20-43)45-25-23-39-15-11-13-17-41(39)35-45)32-34-54-58(50)52-30-28-48(38-56(52)60(54,3)4)62(44-21-9-6-10-22-44)46-26-24-40-16-12-14-18-42(40)36-46;1-35-19-28-52(38(4)30-35)58(40-17-13-10-14-18-40)42-21-23-47-51(34-42)56(7,8)49-27-25-44-45(54(47)49)24-26-48-53(44)46-22-20-41(33-50(46)55(48,5)6)57(39-15-11-9-12-16-39)43-31-36(2)29-37(3)32-43;1-35-17-21-39(22-18-35)55(37-13-9-7-10-14-37)41-25-27-45-49(33-41)53(3,4)47-31-29-44-43(51(45)47)30-32-48-52(44)46-28-26-42(34-50(46)54(48,5)6)56(38-15-11-8-12-16-38)40-23-19-36(2)20-24-40/h2*5-38H,1-4H3;9-34H,1-8H3;7-34H,1-6H3
InChIKeyNDOVUXHILWYOLW-UHFFFAOYSA-N
XLogP64.03
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms238
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003064.09
LogP ≤ 564.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine with MolForge

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Related Compounds

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
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
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159065491
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[c]fluoren-4-amine
CID 146364512
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494477
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-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 159750454) is 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3.Cc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc4c2-3)C(C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3C)ccc2-5)c1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc4c2-3)C(C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3)ccc2-5)cc1.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The InChIKey is NDOVUXHILWYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H46N2.C56H50N2.C54H46N2/c1-59(2)51-35-33-48-47(57(51)49-31-29-43(37-53(49)59)61(41-21-7-5-8-22-41)55-27-15-19-39-17-11-13-25-45(39)55)34-36-52-58(48)50-32-30-44(38-54(50)60(52,3)4)62(42-23-9-6-10-24-42)56-28-16-20-40-18-12-14-26-46(40)56;1-59(2)53-33-31-50-49(57(53)51-29-27-47(37-55(51)59)61(43-19-7-5-8-20-43)45-25-23-39-15-11-13-17-41(39)35-45)32-34-54-58(50)52-30-28-48(38-56(52)60(54,3)4)62(44-21-9-6-10-22-44)46-26-24-40-16-12-14-18-42(40)36-46;1-35-19-28-52(38(4)30-35)58(40-17-13-10-14-18-40)42-21-23-47-51(34-42)56(7,8)49-27-25-44-45(54(47)49)24-26-48-53(44)46-22-20-41(33-50(46)55(48,5)6)57(39-15-11-9-12-16-39)43-31-36(2)29-37(3)32-43;1-35-17-21-39(22-18-35)55(37-13-9-7-10-14-37)41-25-27-45-49(33-41)53(3,4)47-31-29-44-43(51(45)47)30-32-48-52(44)46-28-26-42(34-50(46)54(48,5)6)56(38-15-11-8-12-16-38)40-23-19-36(2)20-24-40/h2*5-38H,1-4H3;9-34H,1-8H3;7-34H,1-6H3.
What are the key properties of 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 3064.09 g/mol, XLogP of 64.03, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 159750454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).