N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

C52H37N — CID 168789431

IUPACN-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-15-38(16-5-1)40-29-33-46(34-30-40)53(47-35-31-41(32-36-47)45-28-27-39-17-10-11-22-44(39)37-45)51-26-14-25-49(43-20-8-3-9-21-43)52(51)50-24-13-12-23-48(50)42-18-6-2-7-19-42/h1-37H
InChIKeyXKPUQXIBVLXVCP-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 168789431) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID168789431
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-15-38(16-5-1)40-29-33-46(34-30-40)53(47-35-31-41(32-36-47)45-28-27-39-17-10-11-22-44(39)37-45)51-26-14-25-49(43-20-8-3-9-21-43)52(51)50-24-13-12-23-48(50)42-18-6-2-7-19-42/h1-37H
InChIKeyXKPUQXIBVLXVCP-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790268
N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789618
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168789388
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790996
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 168789431) is N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is XKPUQXIBVLXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-15-38(16-5-1)40-29-33-46(34-30-40)53(47-35-31-41(32-36-47)45-28-27-39-17-10-11-22-44(39)37-45)51-26-14-25-49(43-20-8-3-9-21-43)52(51)50-24-13-12-23-48(50)42-18-6-2-7-19-42/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 675.88 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168789431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).