7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole

C32H19BrN2 — CID 90062858

IUPAC7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4c3c(-c3ccccc3)c(-c3ccccc3)n4C3=CC=C=C=C3)c2c1
InChIInChI=1S/C32H19BrN2/c33-23-16-18-27-26(20-23)25-17-19-28-30(31(25)34-27)29(21-10-4-1-5-11-21)32(22-12-6-2-7-13-22)35(28)24-14-8-3-9-15-24/h1-2,4-8,10-20,34H
InChIKeyUZHGPPRJHUPYMH-UHFFFAOYSA-N
MW511.42 g/mol
LogP9.09
Rot. Bonds3

About 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole

7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole (PubChem CID 90062858) has the molecular formula C32H19BrN2 and a molecular weight of 511.42 g/mol. Its IUPAC name is 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole
PubChem CID90062858
Molecular FormulaC32H19BrN2
Molecular Weight511.42 g/mol
Exact Mass510.07
IUPAC Name7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4c3c(-c3ccccc3)c(-c3ccccc3)n4C3=CC=C=C=C3)c2c1
InChIInChI=1S/C32H19BrN2/c33-23-16-18-27-26(20-23)25-17-19-28-30(31(25)34-27)29(21-10-4-1-5-11-21)32(22-12-6-2-7-13-22)35(28)24-14-8-3-9-15-24/h1-2,4-8,10-20,34H
InChIKeyUZHGPPRJHUPYMH-UHFFFAOYSA-N
XLogP9.09
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole (CID 90062858) is 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole is Brc1ccc2[nH]c3c(ccc4c3c(-c3ccccc3)c(-c3ccccc3)n4C3=CC=C=C=C3)c2c1.
What is the InChIKey of 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is UZHGPPRJHUPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19BrN2/c33-23-16-18-27-26(20-23)25-17-19-28-30(31(25)34-27)29(21-10-4-1-5-11-21)32(22-12-6-2-7-13-22)35(28)24-14-8-3-9-15-24/h1-2,4-8,10-20,34H.
What are the key properties of 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole?
7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 511.42 g/mol, XLogP of 9.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).