4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline

C36H27N — CID 89375125

IUPAC4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline
SMILESC1=CC(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc3cccc4c3c2C1=CC4
InChIInChI=1S/C36H27N/c1-3-10-31(11-4-1)37(32-12-5-2-6-13-32)33-23-15-26(16-24-33)14-17-27-18-19-30-21-20-28-8-7-9-29-22-25-34(27)36(30)35(28)29/h1-19,21-25,27H,20H2
InChIKeyIOTYYLUCMRAMCM-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.62
Rot. Bonds5

About 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline

4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline (PubChem CID 89375125) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline
PubChem CID89375125
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline
SMILESC1=CC(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc3cccc4c3c2C1=CC4
InChIInChI=1S/C36H27N/c1-3-10-31(11-4-1)37(32-12-5-2-6-13-32)33-23-15-26(16-24-33)14-17-27-18-19-30-21-20-28-8-7-9-29-22-25-34(27)36(30)35(28)29/h1-19,21-25,27H,20H2
InChIKeyIOTYYLUCMRAMCM-UHFFFAOYSA-N
XLogP9.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 89375191
4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 123258415
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(E)-2-[4,6-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]-N,N-diphenylaniline
CID 102184385
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline (CID 89375125) is 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline is C1=CC(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc3cccc4c3c2C1=CC4.
What is the InChIKey of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline?
The InChIKey is IOTYYLUCMRAMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-3-10-31(11-4-1)37(32-12-5-2-6-13-32)33-23-15-26(16-24-33)14-17-27-18-19-30-21-20-28-8-7-9-29-22-25-34(27)36(30)35(28)29/h1-19,21-25,27H,20H2.
What are the key properties of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline?
4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline has a molecular weight of 473.62 g/mol, XLogP of 9.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 89375125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).