N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline

C30H27N — CID 69047473

IUPACN-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline
SMILESCC(=Cc1ccccc1)c1ccccc1N(C(C)=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N/c1-24(22-26-14-6-3-7-15-26)29-20-12-13-21-30(29)31(28-18-10-5-11-19-28)25(2)23-27-16-8-4-9-17-27/h3-23H,1-2H3
InChIKeyPMLQYFPUZXJPLH-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.45
Rot. Bonds6

About N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline

N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline (PubChem CID 69047473) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline
PubChem CID69047473
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC NameN-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline
SMILESCC(=Cc1ccccc1)c1ccccc1N(C(C)=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H27N/c1-24(22-26-14-6-3-7-15-26)29-20-12-13-21-30(29)31(28-18-10-5-11-19-28)25(2)23-27-16-8-4-9-17-27/h3-23H,1-2H3
InChIKeyPMLQYFPUZXJPLH-UHFFFAOYSA-N
XLogP8.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 18968417
1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
CID 91348140
N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
carbon monoxide;iron;2-methylprop-1-enylbenzene
CID 10945570
2-(N-carbamoylanilino)benzamide
CID 68726010
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
CID 54322426
3-(1-phenylprop-1-en-2-yl)-1,2-oxazole
CID 70700456
1-tert-butyl-4-[2-[2-[(E)-1-phenylprop-1-en-2-yl]phenyl]ethynyl]benzene
CID 153341617

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline?
The IUPAC name of N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline (CID 69047473) is N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline.
What is the SMILES notation for N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline?
The canonical SMILES for N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline is CC(=Cc1ccccc1)c1ccccc1N(C(C)=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline?
The InChIKey is PMLQYFPUZXJPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-24(22-26-14-6-3-7-15-26)29-20-12-13-21-30(29)31(28-18-10-5-11-19-28)25(2)23-27-16-8-4-9-17-27/h3-23H,1-2H3.
What are the key properties of N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline?
N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline has a molecular weight of 401.55 g/mol, XLogP of 8.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline is sourced from PubChem (CID 69047473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).