[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone

C30H24BrNO4 — CID 122224661

IUPAC[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]c3c(-c4ccc(OC)cc4)ccc(Br)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H24BrNO4/c1-34-21-10-4-18(5-11-21)24-16-17-25(31)27-26(19-6-12-22(35-2)13-7-19)29(32-28(24)27)30(33)20-8-14-23(36-3)15-9-20/h4-17,32H,1-3H3
InChIKeyOHEXWXPFHAACPY-UHFFFAOYSA-N
MW542.43 g/mol
LogP7.52
Rot. Bonds7

About [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone

[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 122224661) has the molecular formula C30H24BrNO4 and a molecular weight of 542.43 g/mol. Its IUPAC name is [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
PubChem CID122224661
Molecular FormulaC30H24BrNO4
Molecular Weight542.43 g/mol
Exact Mass541.09
IUPAC Name[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]c3c(-c4ccc(OC)cc4)ccc(Br)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H24BrNO4/c1-34-21-10-4-18(5-11-21)24-16-17-25(31)27-26(19-6-12-22(35-2)13-7-19)29(32-28(24)27)30(33)20-8-14-23(36-3)15-9-20/h4-17,32H,1-3H3
InChIKeyOHEXWXPFHAACPY-UHFFFAOYSA-N
XLogP7.52
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.43
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 71723332
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(4,5-dibromo-1H-pyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 21488739
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone
CID 100977174
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 10946734
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
CID 122366134
[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
CID 53483562

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone (CID 122224661) is [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2[nH]c3c(-c4ccc(OC)cc4)ccc(Br)c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OHEXWXPFHAACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BrNO4/c1-34-21-10-4-18(5-11-21)24-16-17-25(31)27-26(19-6-12-22(35-2)13-7-19)29(32-28(24)27)30(33)20-8-14-23(36-3)15-9-20/h4-17,32H,1-3H3.
What are the key properties of [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 542.43 g/mol, XLogP of 7.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 122224661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).