2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole

C30H20Br2N2 — CID 54583510

IUPAC2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole
SMILESC=C(c1c(-c2cccc(Br)c2)[nH]c2ccccc12)c1c(-c2cccc(Br)c2)[nH]c2ccccc12
InChIInChI=1S/C30H20Br2N2/c1-18(27-23-12-2-4-14-25(23)33-29(27)19-8-6-10-21(31)16-19)28-24-13-3-5-15-26(24)34-30(28)20-9-7-11-22(32)17-20/h2-17,33-34H,1H2
InChIKeyTWBMWANTZDPECI-UHFFFAOYSA-N
MW568.31 g/mol
LogP9.57
Rot. Bonds4

About 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole

2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole (PubChem CID 54583510) has the molecular formula C30H20Br2N2 and a molecular weight of 568.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole
PubChem CID54583510
Molecular FormulaC30H20Br2N2
Molecular Weight568.31 g/mol
Exact Mass566.00
IUPAC Name2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole
SMILESC=C(c1c(-c2cccc(Br)c2)[nH]c2ccccc12)c1c(-c2cccc(Br)c2)[nH]c2ccccc12
InChIInChI=1S/C30H20Br2N2/c1-18(27-23-12-2-4-14-25(23)33-29(27)19-8-6-10-21(31)16-19)28-24-13-3-5-15-26(24)34-30(28)20-9-7-11-22(32)17-20/h2-17,33-34H,1H2
InChIKeyTWBMWANTZDPECI-UHFFFAOYSA-N
XLogP9.57
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.31
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole?
The IUPAC name of 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole (CID 54583510) is 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole.
What is the SMILES notation for 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole?
The canonical SMILES for 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole is C=C(c1c(-c2cccc(Br)c2)[nH]c2ccccc12)c1c(-c2cccc(Br)c2)[nH]c2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole?
The InChIKey is TWBMWANTZDPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br2N2/c1-18(27-23-12-2-4-14-25(23)33-29(27)19-8-6-10-21(31)16-19)28-24-13-3-5-15-26(24)34-30(28)20-9-7-11-22(32)17-20/h2-17,33-34H,1H2.
What are the key properties of 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole?
2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole has a molecular weight of 568.31 g/mol, XLogP of 9.57, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-[1-[2-(3-bromophenyl)-1H-indol-3-yl]ethenyl]-1H-indole is sourced from PubChem (CID 54583510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).