N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C51H38N2 — CID 143619876

IUPACN-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESC=Cc1c(C)cccc1N(c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C51H38N2/c1-3-44-36(2)14-10-24-48(44)52(49-25-11-18-39-15-4-7-21-45(39)49)42-32-28-37(29-33-42)38-30-34-43(35-31-38)53(50-26-12-19-40-16-5-8-22-46(40)50)51-27-13-20-41-17-6-9-23-47(41)51/h3-35H,1H2,2H3
InChIKeyIAUDWUILJHRXIL-UHFFFAOYSA-N
MW678.88 g/mol
LogP14.70
Rot. Bonds8

About N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 143619876) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID143619876
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESC=Cc1c(C)cccc1N(c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C51H38N2/c1-3-44-36(2)14-10-24-48(44)52(49-25-11-18-39-15-4-7-21-45(39)49)42-32-28-37(29-33-42)38-30-34-43(35-31-38)53(50-26-12-19-40-16-5-8-22-46(40)50)51-27-13-20-41-17-6-9-23-47(41)51/h3-35H,1H2,2H3
InChIKeyIAUDWUILJHRXIL-UHFFFAOYSA-N
XLogP14.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
CID 89068089
N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89074731
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
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-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 143619876) is N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is C=Cc1c(C)cccc1N(c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is IAUDWUILJHRXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-3-44-36(2)14-10-24-48(44)52(49-25-11-18-39-15-4-7-21-45(39)49)42-32-28-37(29-33-42)38-30-34-43(35-31-38)53(50-26-12-19-40-16-5-8-22-46(40)50)51-27-13-20-41-17-6-9-23-47(41)51/h3-35H,1H2,2H3.
What are the key properties of N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 678.88 g/mol, XLogP of 14.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 143619876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).