3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole

C67H43N5 — CID 88866647

IUPAC3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C67H43N5/c1-4-18-44(19-5-1)46-36-40-60-55(42-46)56-43-50(39-41-61(56)69(60)47-20-6-2-7-21-47)71-59-30-14-11-25-54(59)66-52(27-17-33-64(66)71)51-26-16-32-63-65(51)53-24-10-13-29-58(53)70(63)49-37-34-45(35-38-49)67-68-57-28-12-15-31-62(57)72(67)48-22-8-3-9-23-48/h1-43H
InChIKeyOPFCDXKWNXVURN-UHFFFAOYSA-N
MW918.12 g/mol
LogP17.32
Rot. Bonds7

About 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole

3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole (PubChem CID 88866647) has the molecular formula C67H43N5 and a molecular weight of 918.12 g/mol. Its IUPAC name is 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
PubChem CID88866647
Molecular FormulaC67H43N5
Molecular Weight918.12 g/mol
Exact Mass917.35
IUPAC Name3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C67H43N5/c1-4-18-44(19-5-1)46-36-40-60-55(42-46)56-43-50(39-41-61(56)69(60)47-20-6-2-7-21-47)71-59-30-14-11-25-54(59)66-52(27-17-33-64(66)71)51-26-16-32-63-65(51)53-24-10-13-29-58(53)70(63)49-37-34-45(35-38-49)67-68-57-28-12-15-31-62(57)72(67)48-22-8-3-9-23-48/h1-43H
InChIKeyOPFCDXKWNXVURN-UHFFFAOYSA-N
XLogP17.32
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.12
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
9-phenyl-21-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122762
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole (CID 88866647) is 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cccc54)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole?
The InChIKey is OPFCDXKWNXVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-4-18-44(19-5-1)46-36-40-60-55(42-46)56-43-50(39-41-61(56)69(60)47-20-6-2-7-21-47)71-59-30-14-11-25-54(59)66-52(27-17-33-64(66)71)51-26-16-32-63-65(51)53-24-10-13-29-58(53)70(63)49-37-34-45(35-38-49)67-68-57-28-12-15-31-62(57)72(67)48-22-8-3-9-23-48/h1-43H.
What are the key properties of 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole?
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole has a molecular weight of 918.12 g/mol, XLogP of 17.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 88866647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).