4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline

C30H26N2 — CID 101369644

IUPAC4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline
SMILESCC1(C)C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Nc2ccccc21
InChIInChI=1S/C30H26N2/c1-30(2)27-15-9-10-16-28(27)31-29(30)22-19-23-17-20-26(21-18-23)32(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-22H,1-2H3/b22-19+
InChIKeyBAWRNVBGUABMQR-ZBJSNUHESA-N
MW414.55 g/mol
LogP8.23
Rot. Bonds5

About 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline

4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline (PubChem CID 101369644) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline
PubChem CID101369644
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline
SMILESCC1(C)C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Nc2ccccc21
InChIInChI=1S/C30H26N2/c1-30(2)27-15-9-10-16-28(27)31-29(30)22-19-23-17-20-26(21-18-23)32(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-22H,1-2H3/b22-19+
InChIKeyBAWRNVBGUABMQR-ZBJSNUHESA-N
XLogP8.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol
CID 175895212
[3,3-dimethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indol-5-yl]phosphonic acid
CID 89426483
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-[(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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
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
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-(1,1-dimethylbenzo[e]indol-2-yl)ethenyl]-N,N-diphenylaniline;4-(N-phenylanilino)benzaldehyde;1,1,2-trimethylbenzo[e]indole;hydroxide
CID 157181617
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
2-[(E)-2-(2-methoxyphenyl)ethenyl]-3,3-dimethylindole
CID 71656290

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline (CID 101369644) is 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline is CC1(C)C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Nc2ccccc21.
What is the InChIKey of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline?
The InChIKey is BAWRNVBGUABMQR-ZBJSNUHESA-N. The full InChI is InChI=1S/C30H26N2/c1-30(2)27-15-9-10-16-28(27)31-29(30)22-19-23-17-20-26(21-18-23)32(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-22H,1-2H3/b22-19+.
What are the key properties of 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline?
4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline has a molecular weight of 414.55 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 101369644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).