N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine

C56H38N2 — CID 174258400

IUPACN-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C56H38N2/c1-3-15-41(16-4-1)51-22-9-11-24-54(51)57(50-32-33-53-52-23-10-12-25-55(52)58(56(53)38-50)48-19-5-2-6-20-48)49-21-13-18-43(37-49)45-30-27-40-28-31-46(36-47(40)35-45)44-29-26-39-14-7-8-17-42(39)34-44/h1-38H
InChIKeyJXKYEEFYDINQPH-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine

N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 174258400) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID174258400
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C56H38N2/c1-3-15-41(16-4-1)51-22-9-11-24-54(51)57(50-32-33-53-52-23-10-12-25-55(52)58(56(53)38-50)48-19-5-2-6-20-48)49-21-13-18-43(37-49)45-30-27-40-28-31-46(36-47(40)35-45)44-29-26-39-14-7-8-17-42(39)34-44/h1-38H
InChIKeyJXKYEEFYDINQPH-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine (CID 174258400) is N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2cccc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is JXKYEEFYDINQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-15-41(16-4-1)51-22-9-11-24-54(51)57(50-32-33-53-52-23-10-12-25-55(52)58(56(53)38-50)48-19-5-2-6-20-48)49-21-13-18-43(37-49)45-30-27-40-28-31-46(36-47(40)35-45)44-29-26-39-14-7-8-17-42(39)34-44/h1-38H.
What are the key properties of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 174258400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).