3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole

C30H23BrN2 — CID 166445464

IUPAC3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(C(c2ccccc2)c2c[nH]c3cc(Br)ccc23)c2ccccc21
InChIInChI=1S/C30H23BrN2/c1-33-27-15-9-8-14-24(27)29(30(33)21-12-6-3-7-13-21)28(20-10-4-2-5-11-20)25-19-32-26-18-22(31)16-17-23(25)26/h2-19,28,32H,1H3
InChIKeyJFBOKNBROQWTAY-UHFFFAOYSA-N
MW491.43 g/mol
LogP8.27
Rot. Bonds4

About 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole

3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole (PubChem CID 166445464) has the molecular formula C30H23BrN2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole.

Molecular Properties

Compound Name3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole
PubChem CID166445464
Molecular FormulaC30H23BrN2
Molecular Weight491.43 g/mol
Exact Mass490.10
IUPAC Name3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(C(c2ccccc2)c2c[nH]c3cc(Br)ccc23)c2ccccc21
InChIInChI=1S/C30H23BrN2/c1-33-27-15-9-8-14-24(27)29(30(33)21-12-6-3-7-13-21)28(20-10-4-2-5-11-20)25-19-32-26-18-22(31)16-17-23(25)26/h2-19,28,32H,1H3
InChIKeyJFBOKNBROQWTAY-UHFFFAOYSA-N
XLogP8.27
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3'-Diindolylmethane
CID 3071
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
3-Indolecarboxylaldehyde, azine
CID 135400613
3-(1-Methylpyrrolidin-3-yl)-1H-indole
CID 19337
6-Bromoindole
CID 676493
6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine hydrochloride
CID 56675778
4'-(1H-indol-3-yl)-1'-methyl-1',4'-dihydro-2,3'-biquinoline
CID 3392688
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 44589528
6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine
CID 637026
5-bromo-2-(6-bromo-1H-indol-2-yl)-1-methylindole
CID 76321403

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole?
The IUPAC name of 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole (CID 166445464) is 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole.
What is the SMILES notation for 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole?
The canonical SMILES for 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole is Cn1c(-c2ccccc2)c(C(c2ccccc2)c2c[nH]c3cc(Br)ccc23)c2ccccc21.
What is the InChIKey of 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole?
The InChIKey is JFBOKNBROQWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrN2/c1-33-27-15-9-8-14-24(27)29(30(33)21-12-6-3-7-13-21)28(20-10-4-2-5-11-20)25-19-32-26-18-22(31)16-17-23(25)26/h2-19,28,32H,1H3.
What are the key properties of 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole?
3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole has a molecular weight of 491.43 g/mol, XLogP of 8.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1H-indol-3-yl)-phenylmethyl]-1-methyl-2-phenylindole is sourced from PubChem (CID 166445464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).