N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

C62H42N2 — CID 170271578

IUPACN-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C62H42N2/c1-3-17-43(18-4-1)50-41-42-51(55-25-10-9-24-54(50)55)45-33-37-48(38-34-45)63(58-31-15-22-44-19-7-8-23-52(44)58)49-39-35-46(36-40-49)53-28-16-32-61(62(53)47-20-5-2-6-21-47)64-59-29-13-11-26-56(59)57-27-12-14-30-60(57)64/h1-42H
InChIKeyQOFLLSOTXGLXRN-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 170271578) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
PubChem CID170271578
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C62H42N2/c1-3-17-43(18-4-1)50-41-42-51(55-25-10-9-24-54(50)55)45-33-37-48(38-34-45)63(58-31-15-22-44-19-7-8-23-52(44)58)49-39-35-46(36-40-49)53-28-16-32-61(62(53)47-20-5-2-6-21-47)64-59-29-13-11-26-56(59)57-27-12-14-30-60(57)64/h1-42H
InChIKeyQOFLLSOTXGLXRN-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine
CID 170271950
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 170271781
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790262
N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170271851
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 174309808
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227719
N-[4-(3-benzo[c]carbazol-7-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170271942
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (CID 170271578) is N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The InChIKey is QOFLLSOTXGLXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-17-43(18-4-1)50-41-42-51(55-25-10-9-24-54(50)55)45-33-37-48(38-34-45)63(58-31-15-22-44-19-7-8-23-52(44)58)49-39-35-46(36-40-49)53-28-16-32-61(62(53)47-20-5-2-6-21-47)64-59-29-13-11-26-56(59)57-27-12-14-30-60(57)64/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170271578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).