N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline

C96H62N6 — CID 58738516

IUPACN,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4cccc5c(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7cccc8c(-c9ccc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)cc9)cc3c(c87)c6c54)cc2)cc1
InChIInChI=1S/C96H62N6/c1-7-25-69(26-8-1)99(70-27-9-2-10-28-70)75-57-53-65(54-58-75)89-79-39-23-37-77-82(64-47-51-68(52-48-64)96-98-86-42-20-22-44-88(86)102(96)74-35-17-6-18-36-74)62-84-90(66-55-59-76(60-56-66)100(71-29-11-3-12-30-71)72-31-13-4-14-32-72)80-40-24-38-78-81(61-83(89)93(92(78)80)94(84)91(77)79)63-45-49-67(50-46-63)95-97-85-41-19-21-43-87(85)101(95)73-33-15-5-16-34-73/h1-62H
InChIKeyLZSVJSQRXSEFLK-UHFFFAOYSA-N
MW1299.59 g/mol
LogP25.95
Rot. Bonds14

About N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline

N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline (PubChem CID 58738516) has the molecular formula C96H62N6 and a molecular weight of 1299.59 g/mol. Its IUPAC name is N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline
PubChem CID58738516
Molecular FormulaC96H62N6
Molecular Weight1299.59 g/mol
Exact Mass1298.50
IUPAC NameN,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4cccc5c(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7cccc8c(-c9ccc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)cc9)cc3c(c87)c6c54)cc2)cc1
InChIInChI=1S/C96H62N6/c1-7-25-69(26-8-1)99(70-27-9-2-10-28-70)75-57-53-65(54-58-75)89-79-39-23-37-77-82(64-47-51-68(52-48-64)96-98-86-42-20-22-44-88(86)102(96)74-35-17-6-18-36-74)62-84-90(66-55-59-76(60-56-66)100(71-29-11-3-12-30-71)72-31-13-4-14-32-72)80-40-24-38-78-81(61-83(89)93(92(78)80)94(84)91(77)79)63-45-49-67(50-46-63)95-97-85-41-19-21-43-87(85)101(95)73-33-15-5-16-34-73/h1-62H
InChIKeyLZSVJSQRXSEFLK-UHFFFAOYSA-N
XLogP25.95
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.59
LogP ≤ 525.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline with MolForge

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Related Compounds

9-[4-[22-(4-carbazol-9-ylphenyl)-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]phenyl]carbazole
CID 58738535
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]aniline
CID 58963329
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
2-[4-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 167410752
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline (CID 58738516) is N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3c4cccc5c(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7cccc8c(-c9ccc(-c%10nc%11ccccc%11n%10-c%10ccccc%10)cc9)cc3c(c87)c6c54)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline?
The InChIKey is LZSVJSQRXSEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N6/c1-7-25-69(26-8-1)99(70-27-9-2-10-28-70)75-57-53-65(54-58-75)89-79-39-23-37-77-82(64-47-51-68(52-48-64)96-98-86-42-20-22-44-88(86)102(96)74-35-17-6-18-36-74)62-84-90(66-55-59-76(60-56-66)100(71-29-11-3-12-30-71)72-31-13-4-14-32-72)80-40-24-38-78-81(61-83(89)93(92(78)80)94(84)91(77)79)63-45-49-67(50-46-63)95-97-85-41-19-21-43-87(85)101(95)73-33-15-5-16-34-73/h1-62H.
What are the key properties of N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline?
N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline has a molecular weight of 1299.59 g/mol, XLogP of 25.95, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline is sourced from PubChem (CID 58738516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).