9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole

C48H31N — CID 177074696

IUPAC9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)ccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H31N/c1-2-8-32(9-3-1)39-22-26-47-45(30-39)46-31-40(23-27-48(46)49(47)42-24-20-33-10-4-5-12-37(33)29-42)35-16-14-34(15-17-35)38-21-25-44-41(28-38)19-18-36-11-6-7-13-43(36)44/h1-31H
InChIKeyWBRYJCDJWLSPLH-UHFFFAOYSA-N
MW621.78 g/mol
LogP13.24
Rot. Bonds4

About 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole

9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole (PubChem CID 177074696) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
PubChem CID177074696
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)ccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H31N/c1-2-8-32(9-3-1)39-22-26-47-45(30-39)46-31-40(23-27-48(46)49(47)42-24-20-33-10-4-5-12-37(33)29-42)35-16-14-34(15-17-35)38-21-25-44-41(28-38)19-18-36-11-6-7-13-43(36)44/h1-31H
InChIKeyWBRYJCDJWLSPLH-UHFFFAOYSA-N
XLogP13.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-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

Related Compounds

3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole?
The IUPAC name of 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole (CID 177074696) is 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole.
What is the SMILES notation for 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole?
The canonical SMILES for 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)ccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole?
The InChIKey is WBRYJCDJWLSPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-2-8-32(9-3-1)39-22-26-47-45(30-39)46-31-40(23-27-48(46)49(47)42-24-20-33-10-4-5-12-37(33)29-42)35-16-14-34(15-17-35)38-21-25-44-41(28-38)19-18-36-11-6-7-13-43(36)44/h1-31H.
What are the key properties of 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole?
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole has a molecular weight of 621.78 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole is sourced from PubChem (CID 177074696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).