1,5,6-tris(4-methoxyphenyl)indole

C29H25NO3 — CID 174980314

IUPAC1,5,6-tris(4-methoxyphenyl)indole
SMILESCOc1ccc(-c2cc3ccn(-c4ccc(OC)cc4)c3cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H25NO3/c1-31-24-10-4-20(5-11-24)27-18-22-16-17-30(23-8-14-26(33-3)15-9-23)29(22)19-28(27)21-6-12-25(32-2)13-7-21/h4-19H,1-3H3
InChIKeyVYWNWCZRNDTCGY-UHFFFAOYSA-N
MW435.52 g/mol
LogP6.99
Rot. Bonds6

About 1,5,6-tris(4-methoxyphenyl)indole

1,5,6-tris(4-methoxyphenyl)indole (PubChem CID 174980314) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1,5,6-tris(4-methoxyphenyl)indole.

Molecular Properties

Compound Name1,5,6-tris(4-methoxyphenyl)indole
PubChem CID174980314
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC Name1,5,6-tris(4-methoxyphenyl)indole
SMILESCOc1ccc(-c2cc3ccn(-c4ccc(OC)cc4)c3cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H25NO3/c1-31-24-10-4-20(5-11-24)27-18-22-16-17-30(23-8-14-26(33-3)15-9-23)29(22)19-28(27)21-6-12-25(32-2)13-7-21/h4-19H,1-3H3
InChIKeyVYWNWCZRNDTCGY-UHFFFAOYSA-N
XLogP6.99
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one
CID 163575667
(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol
CID 177165380
6-(5-methoxyindol-1-yl)-2,1-benzoxazole
CID 152663892
N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
CID 152847421
5-methoxy-1-methylindole
CID 819864
3-(5-methoxyindol-1-yl)benzonitrile
CID 13324712
1-(4-propan-2-yloxyphenyl)indol-5-ol
CID 91444334
4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde
CID 163260935
1-(4-methoxyphenyl)-5-[6-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-3-pyridinyl]indole
CID 68710990
4-amino-1-(4-methoxyphenyl)pyridin-2-one
CID 10130616
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
CID 142686421
3-amino-4-(4-methoxyphenyl)-1-phenylpyridin-2-one
CID 141318946

Frequently Asked Questions

What is the IUPAC name of 1,5,6-tris(4-methoxyphenyl)indole?
The IUPAC name of 1,5,6-tris(4-methoxyphenyl)indole (CID 174980314) is 1,5,6-tris(4-methoxyphenyl)indole.
What is the SMILES notation for 1,5,6-tris(4-methoxyphenyl)indole?
The canonical SMILES for 1,5,6-tris(4-methoxyphenyl)indole is COc1ccc(-c2cc3ccn(-c4ccc(OC)cc4)c3cc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,5,6-tris(4-methoxyphenyl)indole?
The InChIKey is VYWNWCZRNDTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c1-31-24-10-4-20(5-11-24)27-18-22-16-17-30(23-8-14-26(33-3)15-9-23)29(22)19-28(27)21-6-12-25(32-2)13-7-21/h4-19H,1-3H3.
What are the key properties of 1,5,6-tris(4-methoxyphenyl)indole?
1,5,6-tris(4-methoxyphenyl)indole has a molecular weight of 435.52 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-tris(4-methoxyphenyl)indole is sourced from PubChem (CID 174980314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).