N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C46H32N2 — CID 167322073

IUPACN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H32N2/c1-2-17-38(18-3-1)47(40-30-27-33-13-4-5-14-36(33)32-40)39-28-25-34(26-29-39)35-15-12-16-37(31-35)41-19-6-9-22-44(41)48-45-23-10-7-20-42(45)43-21-8-11-24-46(43)48/h1-32H
InChIKeyWZDUCGCAESDMTO-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 167322073) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID167322073
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H32N2/c1-2-17-38(18-3-1)47(40-30-27-33-13-4-5-14-36(33)32-40)39-28-25-34(26-29-39)35-15-12-16-37(31-35)41-19-6-9-22-44(41)48-45-23-10-7-20-42(45)43-21-8-11-24-46(43)48/h1-32H
InChIKeyWZDUCGCAESDMTO-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 167322421
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 167322073) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is WZDUCGCAESDMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-17-38(18-3-1)47(40-30-27-33-13-4-5-14-36(33)32-40)39-28-25-34(26-29-39)35-15-12-16-37(31-35)41-19-6-9-22-44(41)48-45-23-10-7-20-42(45)43-21-8-11-24-46(43)48/h1-32H.
What are the key properties of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 167322073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).