3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole

C32H20BrN3 — CID 118103152

IUPAC3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C32H20BrN3/c33-23-16-19-30-27(20-23)25-10-5-7-13-29(25)36(30)24-17-14-21(15-18-24)31-26-11-4-6-12-28(26)34-32(35-31)22-8-2-1-3-9-22/h1-20H
InChIKeyJHEJVZWWIDFDTO-UHFFFAOYSA-N
MW526.44 g/mol
LogP8.82
Rot. Bonds3

About 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole

3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole (PubChem CID 118103152) has the molecular formula C32H20BrN3 and a molecular weight of 526.44 g/mol. Its IUPAC name is 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
PubChem CID118103152
Molecular FormulaC32H20BrN3
Molecular Weight526.44 g/mol
Exact Mass525.08
IUPAC Name3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C32H20BrN3/c33-23-16-19-30-27(20-23)25-10-5-7-13-29(25)36(30)24-17-14-21(15-18-24)31-26-11-4-6-12-28(26)34-32(35-31)22-8-2-1-3-9-22/h1-20H
InChIKeyJHEJVZWWIDFDTO-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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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
9-(3,5-diphenylphenyl)-14-[4-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 135166119
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?
The IUPAC name of 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole (CID 118103152) is 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?
The InChIKey is JHEJVZWWIDFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrN3/c33-23-16-19-30-27(20-23)25-10-5-7-13-29(25)36(30)24-17-14-21(15-18-24)31-26-11-4-6-12-28(26)34-32(35-31)22-8-2-1-3-9-22/h1-20H.
What are the key properties of 3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole 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-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole is sourced from PubChem (CID 118103152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).