3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline

C52H37N — CID 168791024

IUPAC3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccccc45)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-16-38(17-5-1)40-30-34-44(35-31-40)53(45-36-32-41(33-37-45)39-18-6-2-7-19-39)51-29-15-28-50(48-27-14-23-43-22-10-11-24-46(43)48)52(51)49-26-13-12-25-47(49)42-20-8-3-9-21-42/h1-37H
InChIKeyNTDDAHUSRHAKKZ-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline

3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 168791024) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID168791024
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC Name3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccccc45)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-16-38(17-5-1)40-30-34-44(35-31-40)53(45-36-32-41(33-37-45)39-18-6-2-7-19-39)51-29-15-28-50(48-27-14-23-43-22-10-11-24-46(43)48)52(51)49-26-13-12-25-47(49)42-20-8-3-9-21-42/h1-37H
InChIKeyNTDDAHUSRHAKKZ-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-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070
N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 177096983
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
2-phenanthren-9-yl-N-phenyl-3-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 177274758
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168789388
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789214
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 168789860

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline (CID 168791024) is 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccccc45)c3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is NTDDAHUSRHAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-16-38(17-5-1)40-30-34-44(35-31-40)53(45-36-32-41(33-37-45)39-18-6-2-7-19-39)51-29-15-28-50(48-27-14-23-43-22-10-11-24-46(43)48)52(51)49-26-13-12-25-47(49)42-20-8-3-9-21-42/h1-37H.
What are the key properties of 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline?
3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(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 3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 168791024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).