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

C64H44N2 — CID 167322665

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7-n7c8ccccc8c8ccccc87)cc6)cc5)c5cccc6ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-14-45(15-3-1)46-28-30-49(31-29-46)53-18-12-19-54(44-53)50-38-42-56(43-39-50)65(61-27-13-17-51-16-4-5-20-57(51)61)55-40-36-48(37-41-55)47-32-34-52(35-33-47)58-21-6-9-24-62(58)66-63-25-10-7-22-59(63)60-23-8-11-26-64(60)66/h1-44H
InChIKeyLBIIQDYRGWKSPR-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 167322665) 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-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
PubChem CID167322665
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7-n7c8ccccc8c8ccccc87)cc6)cc5)c5cccc6ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-14-45(15-3-1)46-28-30-49(31-29-46)53-18-12-19-54(44-53)50-38-42-56(43-39-50)65(61-27-13-17-51-16-4-5-20-57(51)61)55-40-36-48(37-41-55)47-32-34-52(35-33-47)58-21-6-9-24-62(58)66-63-25-10-7-22-59(63)60-23-8-11-26-64(60)66/h1-44H
InChIKeyLBIIQDYRGWKSPR-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-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
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]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 174309808
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-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322387
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-phenylaniline;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157284109
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790262

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (CID 167322665) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7-n7c8ccccc8c8ccccc87)cc6)cc5)c5cccc6ccccc56)cc4)c3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is LBIIQDYRGWKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-2-14-45(15-3-1)46-28-30-49(31-29-46)53-18-12-19-54(44-53)50-38-42-56(43-39-50)65(61-27-13-17-51-16-4-5-20-57(51)61)55-40-36-48(37-41-55)47-32-34-52(35-33-47)58-21-6-9-24-62(58)66-63-25-10-7-22-59(63)60-23-8-11-26-64(60)66/h1-44H.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine 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-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 167322665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).