4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine

C82H70N2 — CID 170360567

IUPAC4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3cc5c(cc3C4(C)C)-c3cc4c(cc3C5(C)C)-c3c(cc(CCC(c5ccccc5)c5ccccc5)c5ccccc35)C4(C)C)cc2)cc1
InChIInChI=1S/C82H70N2/c1-52-32-37-58(38-33-52)83(59-39-34-53(2)35-40-59)60-41-43-61(44-42-60)84(57-26-16-11-17-27-57)77-51-76-79(66-31-21-19-29-64(66)77)70-50-72-68(48-74(70)82(76,7)8)67-47-73-69(49-71(67)80(72,3)4)78-65-30-20-18-28-63(65)56(46-75(78)81(73,5)6)36-45-62(54-22-12-9-13-23-54)55-24-14-10-15-25-55/h9-35,37-44,46-51,62H,36,45H2,1-8H3
InChIKeyNESRWMVQRFMLBI-UHFFFAOYSA-N
MW1083.48 g/mol
LogP22.23
Rot. Bonds11

About 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine

4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 170360567) has the molecular formula C82H70N2 and a molecular weight of 1083.48 g/mol. Its IUPAC name is 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
PubChem CID170360567
Molecular FormulaC82H70N2
Molecular Weight1083.48 g/mol
Exact Mass1082.55
IUPAC Name4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3cc5c(cc3C4(C)C)-c3cc4c(cc3C5(C)C)-c3c(cc(CCC(c5ccccc5)c5ccccc5)c5ccccc35)C4(C)C)cc2)cc1
InChIInChI=1S/C82H70N2/c1-52-32-37-58(38-33-52)83(59-39-34-53(2)35-40-59)60-41-43-61(44-42-60)84(57-26-16-11-17-27-57)77-51-76-79(66-31-21-19-29-64(66)77)70-50-72-68(48-74(70)82(76,7)8)67-47-73-69(49-71(67)80(72,3)4)78-65-30-20-18-28-63(65)56(46-75(78)81(73,5)6)36-45-62(54-22-12-9-13-23-54)55-24-14-10-15-25-55/h9-35,37-44,46-51,62H,36,45H2,1-8H3
InChIKeyNESRWMVQRFMLBI-UHFFFAOYSA-N
XLogP22.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.48
LogP ≤ 522.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

25-(2,3-diphenylpropyl)-14,14,28,28-tetramethyl-N,N-diphenylheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine
CID 123472137
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 123586227
19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 88848839
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
30-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5,5,19,19,33,33-hexamethyl-30-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-8-N,8-N-diphenylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene-8,30-diamine
CID 142500794
9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607873
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 155323973
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
8-N,30-N-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5,5,19,19,33,33-hexamethyl-30-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-8-N-phenylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene-8,30-diamine
CID 142382487
12,12-dimethyl-N,N,15-tris(4-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 118428464

Frequently Asked Questions

What is the IUPAC name of 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine (CID 170360567) is 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3cc5c(cc3C4(C)C)-c3cc4c(cc3C5(C)C)-c3c(cc(CCC(c5ccccc5)c5ccccc5)c5ccccc35)C4(C)C)cc2)cc1.
What is the InChIKey of 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is NESRWMVQRFMLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H70N2/c1-52-32-37-58(38-33-52)83(59-39-34-53(2)35-40-59)60-41-43-61(44-42-60)84(57-26-16-11-17-27-57)77-51-76-79(66-31-21-19-29-64(66)77)70-50-72-68(48-74(70)82(76,7)8)67-47-73-69(49-71(67)80(72,3)4)78-65-30-20-18-28-63(65)56(46-75(78)81(73,5)6)36-45-62(54-22-12-9-13-23-54)55-24-14-10-15-25-55/h9-35,37-44,46-51,62H,36,45H2,1-8H3.
What are the key properties of 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine?
4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 1083.48 g/mol, XLogP of 22.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 170360567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).