N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline

C51H37N — CID 177096983

IUPACN-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C51H37N/c1-36-24-26-38(27-25-36)40-30-34-44(35-31-40)52(43-32-28-39(29-33-43)37-12-3-2-4-13-37)50-23-11-22-49(47-20-9-16-41-14-5-7-18-45(41)47)51(50)48-21-10-17-42-15-6-8-19-46(42)48/h2-35H,1H3
InChIKeyZZDIXRDQOWQYOQ-UHFFFAOYSA-N
MW663.86 g/mol
LogP14.44
Rot. Bonds7

About N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline

N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 177096983) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
PubChem CID177096983
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC NameN-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C51H37N/c1-36-24-26-38(27-25-36)40-30-34-44(35-31-40)52(43-32-28-39(29-33-43)37-12-3-2-4-13-37)50-23-11-22-49(47-20-9-16-41-14-5-7-18-45(41)47)51(50)48-21-10-17-42-15-6-8-19-46(42)48/h2-35H,1H3
InChIKeyZZDIXRDQOWQYOQ-UHFFFAOYSA-N
XLogP14.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 168791024
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
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
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070
2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177097134

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline (CID 177096983) is N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline is Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline?
The InChIKey is ZZDIXRDQOWQYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-36-24-26-38(27-25-36)40-30-34-44(35-31-40)52(43-32-28-39(29-33-43)37-12-3-2-4-13-37)50-23-11-22-49(47-20-9-16-41-14-5-7-18-45(41)47)51(50)48-21-10-17-42-15-6-8-19-46(42)48/h2-35H,1H3.
What are the key properties of N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline?
N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 663.86 g/mol, XLogP of 14.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177096983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).