2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole

C36H23BrN2 — CID 58453868

IUPAC2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C36H23BrN2/c37-26-18-15-24(16-19-26)25-17-20-34-30(21-25)32-23-35-31(22-36(32)39(34)28-11-5-2-6-12-28)29-13-7-8-14-33(29)38(35)27-9-3-1-4-10-27/h1-23H
InChIKeyAMORVDPMNFNZGB-UHFFFAOYSA-N
MW563.50 g/mol
LogP10.31
Rot. Bonds3

About 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole

2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 58453868) has the molecular formula C36H23BrN2 and a molecular weight of 563.50 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID58453868
Molecular FormulaC36H23BrN2
Molecular Weight563.50 g/mol
Exact Mass562.10
IUPAC Name2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C36H23BrN2/c37-26-18-15-24(16-19-26)25-17-20-34-30(21-25)32-23-35-31(22-36(32)39(34)28-11-5-2-6-12-28)29-13-7-8-14-33(29)38(35)27-9-3-1-4-10-27/h1-23H
InChIKeyAMORVDPMNFNZGB-UHFFFAOYSA-N
XLogP10.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole (CID 58453868) is 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole is Brc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2ccccc2n4-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is AMORVDPMNFNZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2/c37-26-18-15-24(16-19-26)25-17-20-34-30(21-25)32-23-35-31(22-36(32)39(34)28-11-5-2-6-12-28)29-13-7-8-14-33(29)38(35)27-9-3-1-4-10-27/h1-23H.
What are the key properties of 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole?
2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 563.50 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 58453868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).