4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole

C36H25N — CID 166660662

IUPAC4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1
InChIInChI=1S/C36H25N/c1-3-11-26(12-4-1)28-21-23-31(24-22-28)37-34-19-8-7-17-33(34)36-32(18-10-20-35(36)37)30-16-9-15-29(25-30)27-13-5-2-6-14-27/h1-25H
InChIKeyRDDXONJOHAMWKH-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.78
Rot. Bonds4

About 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole

4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole (PubChem CID 166660662) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
PubChem CID166660662
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1
InChIInChI=1S/C36H25N/c1-3-11-26(12-4-1)28-21-23-31(24-22-28)37-34-19-8-7-17-33(34)36-32(18-10-20-35(36)37)30-16-9-15-29(25-30)27-13-5-2-6-14-27/h1-25H
InChIKeyRDDXONJOHAMWKH-UHFFFAOYSA-N
XLogP9.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole (CID 166660662) is 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole?
The InChIKey is RDDXONJOHAMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c1-3-11-26(12-4-1)28-21-23-31(24-22-28)37-34-19-8-7-17-33(34)36-32(18-10-20-35(36)37)30-16-9-15-29(25-30)27-13-5-2-6-14-27/h1-25H.
What are the key properties of 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole?
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole has a molecular weight of 471.60 g/mol, XLogP of 9.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 166660662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).