2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline

C46H33N — CID 139352585

IUPAC2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H33N/c1-4-14-34(15-5-1)36-24-28-41(29-25-36)47(42-30-26-37(27-31-42)35-16-6-2-7-17-35)46-23-13-12-22-43(46)45-33-40-21-11-10-20-39(40)32-44(45)38-18-8-3-9-19-38/h1-33H
InChIKeyRCKJJHHYIFXDEX-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline

2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 139352585) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID139352585
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC Name2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H33N/c1-4-14-34(15-5-1)36-24-28-41(29-25-36)47(42-30-26-37(27-31-42)35-16-6-2-7-17-35)46-23-13-12-22-43(46)45-33-40-21-11-10-20-39(40)32-44(45)38-18-8-3-9-19-38/h1-33H
InChIKeyRCKJJHHYIFXDEX-UHFFFAOYSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(2-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 139352789
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline (CID 139352585) is 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is RCKJJHHYIFXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-14-34(15-5-1)36-24-28-41(29-25-36)47(42-30-26-37(27-31-42)35-16-6-2-7-17-35)46-23-13-12-22-43(46)45-33-40-21-11-10-20-39(40)32-44(45)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline?
2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 599.78 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 139352585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).