7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole

C26H17BrN2 — CID 90035578

IUPAC7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C26H17BrN2/c27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20/h1-17H
InChIKeyNPPXZQPYLIRCBN-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.49
Rot. Bonds2

About 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole

7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 90035578) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole
PubChem CID90035578
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C26H17BrN2/c27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20/h1-17H
InChIKeyNPPXZQPYLIRCBN-UHFFFAOYSA-N
XLogP7.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole (CID 90035578) is 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole is Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is NPPXZQPYLIRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20/h1-17H.
What are the key properties of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole?
7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 437.34 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90035578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).