2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole

C55H38N2O — CID 90352523

IUPAC2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole
SMILESC=C1/C=C\C=C(\n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc32)COc2ccccc21
InChIInChI=1S/C55H38N2O/c1-37-14-13-21-45(36-58-55-23-12-11-22-46(37)55)57-51-29-25-40(38-15-5-2-6-16-38)32-48(51)47-28-24-43(35-54(47)57)42-27-31-53-50(34-42)49-33-41(39-17-7-3-8-18-39)26-30-52(49)56(53)44-19-9-4-10-20-44/h2-35H,1,36H2/b14-13-,45-21+
InChIKeyRMQKXXPXBOAVCF-GNPKRUNYSA-N
MW742.92 g/mol
LogP14.40
Rot. Bonds5

About 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole

2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole (PubChem CID 90352523) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole.

Molecular Properties

Compound Name2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole
PubChem CID90352523
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole
SMILESC=C1/C=C\C=C(\n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc32)COc2ccccc21
InChIInChI=1S/C55H38N2O/c1-37-14-13-21-45(36-58-55-23-12-11-22-46(37)55)57-51-29-25-40(38-15-5-2-6-16-38)32-48(51)47-28-24-43(35-54(47)57)42-27-31-53-50(34-42)49-33-41(39-17-7-3-8-18-39)26-30-52(49)56(53)44-19-9-4-10-20-44/h2-35H,1,36H2/b14-13-,45-21+
InChIKeyRMQKXXPXBOAVCF-GNPKRUNYSA-N
XLogP14.40
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole?
The IUPAC name of 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole (CID 90352523) is 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole.
What is the SMILES notation for 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole?
The canonical SMILES for 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole is C=C1/C=C\C=C(\n2c3ccc(-c4ccccc4)cc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc32)COc2ccccc21.
What is the InChIKey of 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole?
The InChIKey is RMQKXXPXBOAVCF-GNPKRUNYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-37-14-13-21-45(36-58-55-23-12-11-22-46(37)55)57-51-29-25-40(38-15-5-2-6-16-38)32-48(51)47-28-24-43(35-54(47)57)42-27-31-53-50(34-42)49-33-41(39-17-7-3-8-18-39)26-30-52(49)56(53)44-19-9-4-10-20-44/h2-35H,1,36H2/b14-13-,45-21+.
What are the key properties of 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole?
2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole has a molecular weight of 742.92 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole is sourced from PubChem (CID 90352523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).