7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole

C30H19BrN2 — CID 90062557

IUPAC7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccc2ccccc2c1
InChIInChI=1S/C30H19BrN2/c31-22-11-14-29-27(19-22)25-13-15-28-26(16-17-32(28)23-8-2-1-3-9-23)30(25)33(29)24-12-10-20-6-4-5-7-21(20)18-24/h1-19H
InChIKeyWTJMABUHGNCMHK-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.64
Rot. Bonds2

About 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole

7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 90062557) has the molecular formula C30H19BrN2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID90062557
Molecular FormulaC30H19BrN2
Molecular Weight487.40 g/mol
Exact Mass486.07
IUPAC Name7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccc2ccccc2c1
InChIInChI=1S/C30H19BrN2/c31-22-11-14-29-27(19-22)25-13-15-28-26(16-17-32(28)23-8-2-1-3-9-23)30(25)33(29)24-12-10-20-6-4-5-7-21(20)18-24/h1-19H
InChIKeyWTJMABUHGNCMHK-UHFFFAOYSA-N
XLogP8.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole (CID 90062557) is 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole is Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccc2ccccc2c1.
What is the InChIKey of 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is WTJMABUHGNCMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2/c31-22-11-14-29-27(19-22)25-13-15-28-26(16-17-32(28)23-8-2-1-3-9-23)30(25)33(29)24-12-10-20-6-4-5-7-21(20)18-24/h1-19H.
What are the key properties of 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole?
7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 487.40 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).