3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole

C32H20BrN3 — CID 139327746

IUPAC3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole
SMILESBrc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C32H20BrN3/c33-23-17-14-21(15-18-23)31-26-11-4-6-12-28(26)34-32(35-31)22-16-19-30-27(20-22)25-10-5-7-13-29(25)36(30)24-8-2-1-3-9-24/h1-20H
InChIKeyRQQYGKKJDYAMIH-UHFFFAOYSA-N
MW526.44 g/mol
LogP8.82
Rot. Bonds3

About 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole

3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole (PubChem CID 139327746) has the molecular formula C32H20BrN3 and a molecular weight of 526.44 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole
PubChem CID139327746
Molecular FormulaC32H20BrN3
Molecular Weight526.44 g/mol
Exact Mass525.08
IUPAC Name3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole
SMILESBrc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C32H20BrN3/c33-23-17-14-21(15-18-23)31-26-11-4-6-12-28(26)34-32(35-31)22-16-19-30-27(20-22)25-10-5-7-13-29(25)36(30)24-8-2-1-3-9-24/h1-20H
InChIKeyRQQYGKKJDYAMIH-UHFFFAOYSA-N
XLogP8.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole (CID 139327746) is 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole is Brc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole?
The InChIKey is RQQYGKKJDYAMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrN3/c33-23-17-14-21(15-18-23)31-26-11-4-6-12-28(26)34-32(35-31)22-16-19-30-27(20-22)25-10-5-7-13-29(25)36(30)24-8-2-1-3-9-24/h1-20H.
What are the key properties of 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole?
3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole has a molecular weight of 526.44 g/mol, XLogP of 8.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)quinazolin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 139327746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).