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

C39H37N3 — CID 102188971

IUPAC3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C39H37N3/c1-38(2,3)27-16-22-34-31(24-27)32-25-28(39(4,5)6)17-23-35(32)41(34)29-18-20-30(21-19-29)42-36-15-11-10-14-33(36)40-37(42)26-12-8-7-9-13-26/h7-25H,1-6H3
InChIKeyHTIZMCFTBZPTPL-UHFFFAOYSA-N
MW547.75 g/mol
LogP10.38
Rot. Bonds3

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

3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole (PubChem CID 102188971) has the molecular formula C39H37N3 and a molecular weight of 547.75 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
PubChem CID102188971
Molecular FormulaC39H37N3
Molecular Weight547.75 g/mol
Exact Mass547.30
IUPAC Name3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C39H37N3/c1-38(2,3)27-16-22-34-31(24-27)32-25-28(39(4,5)6)17-23-35(32)41(34)29-18-20-30(21-19-29)42-36-15-11-10-14-33(36)40-37(42)26-12-8-7-9-13-26/h7-25H,1-6H3
InChIKeyHTIZMCFTBZPTPL-UHFFFAOYSA-N
XLogP10.38
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.75
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 153452165
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)
CID 153452167
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole (CID 102188971) is 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The InChIKey is HTIZMCFTBZPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N3/c1-38(2,3)27-16-22-34-31(24-27)32-25-28(39(4,5)6)17-23-35(32)41(34)29-18-20-30(21-19-29)42-36-15-11-10-14-33(36)40-37(42)26-12-8-7-9-13-26/h7-25H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole has a molecular weight of 547.75 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 102188971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).