4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol

C30H26N2O2 — CID 175895212

IUPAC4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol
SMILESCC1(C)C(C=Cc2ccc(N(c3ccc(O)cc3)c3ccc(O)cc3)cc2)=Nc2ccccc21
InChIInChI=1S/C30H26N2O2/c1-30(2)27-5-3-4-6-28(27)31-29(30)20-9-21-7-10-22(11-8-21)32(23-12-16-25(33)17-13-23)24-14-18-26(34)19-15-24/h3-20,33-34H,1-2H3
InChIKeyGSBNRVBGGIYQHX-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.64
Rot. Bonds5

About 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol

4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol (PubChem CID 175895212) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol.

Molecular Properties

Compound Name4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol
PubChem CID175895212
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol
SMILESCC1(C)C(C=Cc2ccc(N(c3ccc(O)cc3)c3ccc(O)cc3)cc2)=Nc2ccccc21
InChIInChI=1S/C30H26N2O2/c1-30(2)27-5-3-4-6-28(27)31-29(30)20-9-21-7-10-22(11-8-21)32(23-12-16-25(33)17-13-23)24-14-18-26(34)19-15-24/h3-20,33-34H,1-2H3
InChIKeyGSBNRVBGGIYQHX-UHFFFAOYSA-N
XLogP7.64
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline
CID 101369644
[3,3-dimethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indol-5-yl]phosphonic acid
CID 89426483
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
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
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
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
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
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-(2-phenylethenyl)phenol
CID 157400568

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol?
The IUPAC name of 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol (CID 175895212) is 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol.
What is the SMILES notation for 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol?
The canonical SMILES for 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol is CC1(C)C(C=Cc2ccc(N(c3ccc(O)cc3)c3ccc(O)cc3)cc2)=Nc2ccccc21.
What is the InChIKey of 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol?
The InChIKey is GSBNRVBGGIYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-30(2)27-5-3-4-6-28(27)31-29(30)20-9-21-7-10-22(11-8-21)32(23-12-16-25(33)17-13-23)24-14-18-26(34)19-15-24/h3-20,33-34H,1-2H3.
What are the key properties of 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol?
4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol has a molecular weight of 446.55 g/mol, XLogP of 7.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol is sourced from PubChem (CID 175895212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).