2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole

C39H25N3 — CID 102458690

IUPAC2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C39H25N3/c1-2-12-27(13-3-1)42-38-34-19-7-5-15-30(34)29-14-4-6-18-33(29)37(38)40-39(42)26-22-24-28(25-23-26)41-35-20-10-8-16-31(35)32-17-9-11-21-36(32)41/h1-25H
InChIKeyWIWYGYIIEQSFQX-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole

2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole (PubChem CID 102458690) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole
PubChem CID102458690
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C39H25N3/c1-2-12-27(13-3-1)42-38-34-19-7-5-15-30(34)29-14-4-6-18-33(29)37(38)40-39(42)26-22-24-28(25-23-26)41-35-20-10-8-16-31(35)32-17-9-11-21-36(32)41/h1-25H
InChIKeyWIWYGYIIEQSFQX-UHFFFAOYSA-N
XLogP10.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole (CID 102458690) is 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole is c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
The InChIKey is WIWYGYIIEQSFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-12-27(13-3-1)42-38-34-19-7-5-15-30(34)29-14-4-6-18-33(29)37(38)40-39(42)26-22-24-28(25-23-26)41-35-20-10-8-16-31(35)32-17-9-11-21-36(32)41/h1-25H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole has a molecular weight of 535.65 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 102458690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).