3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole

C38H25N — CID 87171359

IUPAC3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4cc5ccccc5c5ccccc45)ccc32)cc1
InChIInChI=1S/C38H25N/c1-2-13-28(14-3-1)39-37-21-11-10-20-34(37)36-25-27(22-23-38(36)39)30-16-6-7-18-32(30)35-24-26-12-4-5-15-29(26)31-17-8-9-19-33(31)35/h1-25H
InChIKeyXXVUCEQZKLVHHR-UHFFFAOYSA-N
MW495.63 g/mol
LogP10.42
Rot. Bonds3

About 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole

3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole (PubChem CID 87171359) has the molecular formula C38H25N and a molecular weight of 495.63 g/mol. Its IUPAC name is 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
PubChem CID87171359
Molecular FormulaC38H25N
Molecular Weight495.63 g/mol
Exact Mass495.20
IUPAC Name3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4cc5ccccc5c5ccccc45)ccc32)cc1
InChIInChI=1S/C38H25N/c1-2-13-28(14-3-1)39-37-21-11-10-20-34(37)36-25-27(22-23-38(36)39)30-16-6-7-18-32(30)35-24-26-12-4-5-15-29(26)31-17-8-9-19-33(31)35/h1-25H
InChIKeyXXVUCEQZKLVHHR-UHFFFAOYSA-N
XLogP10.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole
CID 160946049
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764075
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole (CID 87171359) is 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4cc5ccccc5c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole?
The InChIKey is XXVUCEQZKLVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N/c1-2-13-28(14-3-1)39-37-21-11-10-20-34(37)36-25-27(22-23-38(36)39)30-16-6-7-18-32(30)35-24-26-12-4-5-15-29(26)31-17-8-9-19-33(31)35/h1-25H.
What are the key properties of 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole?
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole has a molecular weight of 495.63 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 87171359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).