N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

C49H38N2 — CID 91011081

IUPACN-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C49H38N2/c1-37-11-10-18-48(35-37)51(47-32-25-42(26-33-47)40-12-4-2-5-13-40)46-30-23-39(24-31-46)20-19-38-21-28-45(29-22-38)50(44-16-6-3-7-17-44)49-34-27-41-14-8-9-15-43(41)36-49/h2-36H,1H3
InChIKeyPDSQKIUDDBNIQF-UHFFFAOYSA-N
MW654.86 g/mol
LogP13.93
Rot. Bonds9

About N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 91011081) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID91011081
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC NameN-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C49H38N2/c1-37-11-10-18-48(35-37)51(47-32-25-42(26-33-47)40-12-4-2-5-13-40)46-30-23-39(24-31-46)20-19-38-21-28-45(29-22-38)50(44-16-6-3-7-17-44)49-34-27-41-14-8-9-15-43(41)36-49/h2-36H,1H3
InChIKeyPDSQKIUDDBNIQF-UHFFFAOYSA-N
XLogP13.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89067843
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
CID 143269183
3-methyl-N-(3-methylphenyl)-N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]aniline;3-methyl-N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylaniline;4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-N,N-diphenylaniline;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158523773
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 91011081) is N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is Cc1cccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is PDSQKIUDDBNIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2/c1-37-11-10-18-48(35-37)51(47-32-25-42(26-33-47)40-12-4-2-5-13-40)46-30-23-39(24-31-46)20-19-38-21-28-45(29-22-38)50(44-16-6-3-7-17-44)49-34-27-41-14-8-9-15-43(41)36-49/h2-36H,1H3.
What are the key properties of N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 654.86 g/mol, XLogP of 13.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 91011081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).