4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole

C32H21N3O — CID 134409676

IUPAC4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4nc6ccccc6n45)ccc32)c1
InChIInChI=1S/C32H21N3O/c1-20-8-6-9-22(18-20)34-27-13-4-2-10-24(27)25-19-21(16-17-28(25)34)23-11-7-15-30-31(23)36-32-33-26-12-3-5-14-29(26)35(30)32/h2-19H,1H3
InChIKeyPPWDHXNKLVVHNR-UHFFFAOYSA-N
MW463.54 g/mol
LogP8.31
Rot. Bonds2

About 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole

4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 134409676) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID134409676
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4nc6ccccc6n45)ccc32)c1
InChIInChI=1S/C32H21N3O/c1-20-8-6-9-22(18-20)34-27-13-4-2-10-24(27)25-19-21(16-17-28(25)34)23-11-7-15-30-31(23)36-32-33-26-12-3-5-14-29(26)35(30)32/h2-19H,1H3
InChIKeyPPWDHXNKLVVHNR-UHFFFAOYSA-N
XLogP8.31
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409482
3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 67819112
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
CID 67818598
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
2-dibenzofuran-4-yl-5-methylbenzimidazolo[1,2-a]benzimidazole;2-methyldibenzofuran;4-methyldibenzofuran;5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole;9-(3-methylphenyl)carbazole
CID 157476739
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
9-[4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[4-[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 161304554
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3-dibenzofuran-3-yl-9-(3-methylphenyl)carbazole
CID 170131130

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole (CID 134409676) is 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole is Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4nc6ccccc6n45)ccc32)c1.
What is the InChIKey of 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is PPWDHXNKLVVHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O/c1-20-8-6-9-22(18-20)34-27-13-4-2-10-24(27)25-19-21(16-17-28(25)34)23-11-7-15-30-31(23)36-32-33-26-12-3-5-14-29(26)35(30)32/h2-19H,1H3.
What are the key properties of 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 463.54 g/mol, XLogP of 8.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 134409676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).