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

C96H58N6 — CID 58738535

IUPAC9-[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
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7c(-c8ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc8)cc8c(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c9cccc4c9c5c8c76)cc3)nc3ccccc32)cc1
InChIInChI=1S/C96H58N6/c1-3-21-65(22-4-1)101-87-39-17-11-33-81(87)97-95(101)63-45-41-59(42-46-63)77-57-79-89(61-49-53-67(54-50-61)99-83-35-13-7-25-69(83)70-26-8-14-36-84(70)99)76-32-20-30-74-78(60-43-47-64(48-44-60)96-98-82-34-12-18-40-88(82)102(96)66-23-5-2-6-24-66)58-80-90(75-31-19-29-73(77)91(75)93(79)94(80)92(74)76)62-51-55-68(56-52-62)100-85-37-15-9-27-71(85)72-28-10-16-38-86(72)100/h1-58H
InChIKeyFSJVWVJNGAVVQU-UHFFFAOYSA-N
MW1295.56 g/mol
LogP25.20
Rot. Bonds10

About 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

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 (PubChem CID 58738535) has the molecular formula C96H58N6 and a molecular weight of 1295.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID58738535
Molecular FormulaC96H58N6
Molecular Weight1295.56 g/mol
Exact Mass1294.47
IUPAC Name9-[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
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7c(-c8ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc8)cc8c(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c9cccc4c9c5c8c76)cc3)nc3ccccc32)cc1
InChIInChI=1S/C96H58N6/c1-3-21-65(22-4-1)101-87-39-17-11-33-81(87)97-95(101)63-45-41-59(42-46-63)77-57-79-89(61-49-53-67(54-50-61)99-83-35-13-7-25-69(83)70-26-8-14-36-84(70)99)76-32-20-30-74-78(60-43-47-64(48-44-60)96-98-82-34-12-18-40-88(82)102(96)66-23-5-2-6-24-66)58-80-90(75-31-19-29-73(77)91(75)93(79)94(80)92(74)76)62-51-55-68(56-52-62)100-85-37-15-9-27-71(85)72-28-10-16-38-86(72)100/h1-58H
InChIKeyFSJVWVJNGAVVQU-UHFFFAOYSA-N
XLogP25.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.56
LogP ≤ 525.20
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 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 with MolForge

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Related Compounds

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
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
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
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
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
3-phenyl-19-[4-(2-phenylbenzimidazol-1-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414549
4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7c(-c8ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc8)cc8c(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c9cccc4c9c5c8c76)cc3)nc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is FSJVWVJNGAVVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H58N6/c1-3-21-65(22-4-1)101-87-39-17-11-33-81(87)97-95(101)63-45-41-59(42-46-63)77-57-79-89(61-49-53-67(54-50-61)99-83-35-13-7-25-69(83)70-26-8-14-36-84(70)99)76-32-20-30-74-78(60-43-47-64(48-44-60)96-98-82-34-12-18-40-88(82)102(96)66-23-5-2-6-24-66)58-80-90(75-31-19-29-73(77)91(75)93(79)94(80)92(74)76)62-51-55-68(56-52-62)100-85-37-15-9-27-71(85)72-28-10-16-38-86(72)100/h1-58H.
What are the key properties of 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?
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 has a molecular weight of 1295.56 g/mol, XLogP of 25.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58738535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).