9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole

C58H40N4 — CID 140917912

IUPAC9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C58H40N4/c1-58(2)47-23-11-6-18-41(47)42-33-32-39(36-48(42)58)37-28-30-38(31-29-37)57-59-55-53(61-49-24-12-7-19-43(49)44-20-8-13-25-50(44)61)34-35-54(56(55)60(57)40-16-4-3-5-17-40)62-51-26-14-9-21-45(51)46-22-10-15-27-52(46)62/h3-36H,1-2H3
InChIKeyDRKDFCKODIYPCC-UHFFFAOYSA-N
MW792.99 g/mol
LogP14.86
Rot. Bonds5

About 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole

9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole (PubChem CID 140917912) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole
PubChem CID140917912
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C58H40N4/c1-58(2)47-23-11-6-18-41(47)42-33-32-39(36-48(42)58)37-28-30-38(31-29-37)57-59-55-53(61-49-24-12-7-19-43(49)44-20-8-13-25-50(44)61)34-35-54(56(55)60(57)40-16-4-3-5-17-40)62-51-26-14-9-21-45(51)46-22-10-15-27-52(46)62/h3-36H,1-2H3
InChIKeyDRKDFCKODIYPCC-UHFFFAOYSA-N
XLogP14.86
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
13-(9,9-dimethylfluoren-2-yl)-5,6,9-triphenyl-5,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),4(8),6,11,14,16,18-octaene
CID 90231671
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole?
The IUPAC name of 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole (CID 140917912) is 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole.
What is the SMILES notation for 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole?
The canonical SMILES for 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4-c4ccccc4)cc3)cc21.
What is the InChIKey of 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole?
The InChIKey is DRKDFCKODIYPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-58(2)47-23-11-6-18-41(47)42-33-32-39(36-48(42)58)37-28-30-38(31-29-37)57-59-55-53(61-49-24-12-7-19-43(49)44-20-8-13-25-50(44)61)34-35-54(56(55)60(57)40-16-4-3-5-17-40)62-51-26-14-9-21-45(51)46-22-10-15-27-52(46)62/h3-36H,1-2H3.
What are the key properties of 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole?
9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole has a molecular weight of 792.99 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole is sourced from PubChem (CID 140917912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).