1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole

C39H40Br2N2 — CID 71428014

IUPAC1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole
SMILESBrCCCCCn1c(-c2ccccc2)c(Cc2c(-c3ccccc3)n(CCCCCBr)c3ccccc23)c2ccccc21
InChIInChI=1S/C39H40Br2N2/c40-25-13-3-15-27-42-36-23-11-9-21-32(36)34(38(42)30-17-5-1-6-18-30)29-35-33-22-10-12-24-37(33)43(28-16-4-14-26-41)39(35)31-19-7-2-8-20-31/h1-2,5-12,17-24H,3-4,13-16,25-29H2
InChIKeyNAEWNCFKEXHAJU-UHFFFAOYSA-N
MW696.57 g/mol
LogP11.65
Rot. Bonds14

About 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole

1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole (PubChem CID 71428014) has the molecular formula C39H40Br2N2 and a molecular weight of 696.57 g/mol. Its IUPAC name is 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole.

Molecular Properties

Compound Name1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole
PubChem CID71428014
Molecular FormulaC39H40Br2N2
Molecular Weight696.57 g/mol
Exact Mass694.16
IUPAC Name1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole
SMILESBrCCCCCn1c(-c2ccccc2)c(Cc2c(-c3ccccc3)n(CCCCCBr)c3ccccc23)c2ccccc21
InChIInChI=1S/C39H40Br2N2/c40-25-13-3-15-27-42-36-23-11-9-21-32(36)34(38(42)30-17-5-1-6-18-30)29-35-33-22-10-12-24-37(33)43(28-16-4-14-26-41)39(35)31-19-7-2-8-20-31/h1-2,5-12,17-24H,3-4,13-16,25-29H2
InChIKeyNAEWNCFKEXHAJU-UHFFFAOYSA-N
XLogP11.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.57
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromohexyl)-2-(4-methoxyphenyl)-3-methylindole
CID 15925636
9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
CID 141391758
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
CID 22449673
6-(4-bromobutyl)indolo[3,2-b]quinoxaline
CID 39071128
[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
CID 142738622
benzene;9-octylcarbazole
CID 175067369
1-butyl-3-nitroso-2-phenylindole
CID 155676886
[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
CID 102581043
[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol
CID 102581039
9-hexadecylcarbazole
CID 4166588
9-(6-chlorohexyl)carbazole
CID 63465812

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole?
The IUPAC name of 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole (CID 71428014) is 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole.
What is the SMILES notation for 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole?
The canonical SMILES for 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole is BrCCCCCn1c(-c2ccccc2)c(Cc2c(-c3ccccc3)n(CCCCCBr)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole?
The InChIKey is NAEWNCFKEXHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40Br2N2/c40-25-13-3-15-27-42-36-23-11-9-21-32(36)34(38(42)30-17-5-1-6-18-30)29-35-33-22-10-12-24-37(33)43(28-16-4-14-26-41)39(35)31-19-7-2-8-20-31/h1-2,5-12,17-24H,3-4,13-16,25-29H2.
What are the key properties of 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole?
1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole has a molecular weight of 696.57 g/mol, XLogP of 11.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole is sourced from PubChem (CID 71428014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).