3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine

C38H25N3O — CID 164778105

IUPAC3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)COc2nc4ccccc4n2-3)cc1
InChIInChI=1S/C38H25N3O/c1-3-9-25(10-4-1)27-15-18-35-31(22-27)32-23-28(26-11-5-2-6-12-26)16-19-36(32)40(35)30-17-20-34-29(21-30)24-42-38-39-33-13-7-8-14-37(33)41(34)38/h1-23H,24H2
InChIKeyVAAJQXVAKJRXSQ-UHFFFAOYSA-N
MW539.64 g/mol
LogP9.35
Rot. Bonds3

About 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine

3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine (PubChem CID 164778105) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
PubChem CID164778105
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)COc2nc4ccccc4n2-3)cc1
InChIInChI=1S/C38H25N3O/c1-3-9-25(10-4-1)27-15-18-35-31(22-27)32-23-28(26-11-5-2-6-12-26)16-19-36(32)40(35)30-17-20-34-29(21-30)24-42-38-39-33-13-7-8-14-37(33)41(34)38/h1-23H,24H2
InChIKeyVAAJQXVAKJRXSQ-UHFFFAOYSA-N
XLogP9.35
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778257
[9-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)carbazol-3-yl]-triphenylsilane;10-carbazol-9-yl-5H-benzimidazolo[1,2-a][3,1]benzoxazine;10-(3-carbazol-9-ylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine;10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 165071676
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778282
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The IUPAC name of 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine (CID 164778105) is 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine.
What is the SMILES notation for 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The canonical SMILES for 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)COc2nc4ccccc4n2-3)cc1.
What is the InChIKey of 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The InChIKey is VAAJQXVAKJRXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-3-9-25(10-4-1)27-15-18-35-31(22-27)32-23-28(26-11-5-2-6-12-26)16-19-36(32)40(35)30-17-20-34-29(21-30)24-42-38-39-33-13-7-8-14-37(33)41(34)38/h1-23H,24H2.
What are the key properties of 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine has a molecular weight of 539.64 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 164778105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).