N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

C64H44N2 — CID 167322510

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-15-45(16-3-1)47-33-39-52(40-34-47)65(54-43-37-50(38-44-54)56-20-6-7-22-58(56)59-25-14-18-49-17-4-5-19-55(49)59)53-41-35-48(36-42-53)46-29-31-51(32-30-46)57-21-8-11-26-62(57)66-63-27-12-9-23-60(63)61-24-10-13-28-64(61)66/h1-44H
InChIKeyZAJBFHPKZIYXCW-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 167322510) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
PubChem CID167322510
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-15-45(16-3-1)47-33-39-52(40-34-47)65(54-43-37-50(38-44-54)56-20-6-7-22-58(56)59-25-14-18-49-17-4-5-19-55(49)59)53-41-35-48(36-42-53)46-29-31-51(32-30-46)57-21-8-11-26-62(57)66-63-27-12-9-23-60(63)61-24-10-13-28-64(61)66/h1-44H
InChIKeyZAJBFHPKZIYXCW-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 170927017
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790262
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227719
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (CID 167322510) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is ZAJBFHPKZIYXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-2-15-45(16-3-1)47-33-39-52(40-34-47)65(54-43-37-50(38-44-54)56-20-6-7-22-58(56)59-25-14-18-49-17-4-5-19-55(49)59)53-41-35-48(36-42-53)46-29-31-51(32-30-46)57-21-8-11-26-62(57)66-63-27-12-9-23-60(63)61-24-10-13-28-64(61)66/h1-44H.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 167322510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).