4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C31H20BrN3 — CID 118034815

IUPAC4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESBrc1cccc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C31H20BrN3/c32-25-12-8-16-29-30(25)24-11-4-6-14-27(24)34(29)23-19-17-21(18-20-23)31-33-26-13-5-7-15-28(26)35(31)22-9-2-1-3-10-22/h1-20H
InChIKeyYTAUDSDPVVWUOL-UHFFFAOYSA-N
MW514.43 g/mol
LogP8.55
Rot. Bonds3

About 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 118034815) has the molecular formula C31H20BrN3 and a molecular weight of 514.43 g/mol. Its IUPAC name is 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID118034815
Molecular FormulaC31H20BrN3
Molecular Weight514.43 g/mol
Exact Mass513.08
IUPAC Name4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESBrc1cccc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C31H20BrN3/c32-25-12-8-16-29-30(25)24-11-4-6-14-27(24)34(29)23-19-17-21(18-20-23)31-33-26-13-5-7-15-28(26)35(31)22-9-2-1-3-10-22/h1-20H
InChIKeyYTAUDSDPVVWUOL-UHFFFAOYSA-N
XLogP8.55
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.43
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
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
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
9,21-diphenyl-18-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 166584390
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
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
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 118034815) is 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is Brc1cccc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is YTAUDSDPVVWUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN3/c32-25-12-8-16-29-30(25)24-11-4-6-14-27(24)34(29)23-19-17-21(18-20-23)31-33-26-13-5-7-15-28(26)35(31)22-9-2-1-3-10-22/h1-20H.
What are the key properties of 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 514.43 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 118034815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).