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

C52H37N5 — CID 132521570

IUPAC9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESCCn1c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc21
InChIInChI=1S/C52H37N5/c1-2-55-47-31-29-39(35-21-25-37(26-22-35)51-53-45-17-9-11-19-49(45)56(51)41-13-5-3-6-14-41)33-43(47)44-34-40(30-32-48(44)55)36-23-27-38(28-24-36)52-54-46-18-10-12-20-50(46)57(52)42-15-7-4-8-16-42/h3-34H,2H2,1H3
InChIKeyPZLWTTHCKHYANL-UHFFFAOYSA-N
MW731.90 g/mol
LogP13.16
Rot. Bonds7

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

9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 132521570) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID132521570
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESCCn1c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc21
InChIInChI=1S/C52H37N5/c1-2-55-47-31-29-39(35-21-25-37(26-22-35)51-53-45-17-9-11-19-49(45)56(51)41-13-5-3-6-14-41)33-43(47)44-34-40(30-32-48(44)55)36-23-27-38(28-24-36)52-54-46-18-10-12-20-50(46)57(52)42-15-7-4-8-16-42/h3-34H,2H2,1H3
InChIKeyPZLWTTHCKHYANL-UHFFFAOYSA-N
XLogP13.16
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole
CID 59346192
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 132521570) is 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is CCn1c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc21.
What is the InChIKey of 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is PZLWTTHCKHYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-2-55-47-31-29-39(35-21-25-37(26-22-35)51-53-45-17-9-11-19-49(45)56(51)41-13-5-3-6-14-41)33-43(47)44-34-40(30-32-48(44)55)36-23-27-38(28-24-36)52-54-46-18-10-12-20-50(46)57(52)42-15-7-4-8-16-42/h3-34H,2H2,1H3.
What are the key properties of 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 731.90 g/mol, XLogP of 13.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 132521570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).