2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole

C34H21N3O — CID 166134522

IUPAC2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole
SMILESc1ccc(-c2ccccc2-c2nc(-c3cc4ccc5oc6ccccc6c5c4[nH]3)nc3ccccc23)cc1
InChIInChI=1S/C34H21N3O/c1-2-10-21(11-3-1)23-12-4-5-13-24(23)33-25-14-6-8-16-27(25)36-34(37-33)28-20-22-18-19-30-31(32(22)35-28)26-15-7-9-17-29(26)38-30/h1-20,35H
InChIKeyIUJPCEXXZFYFEJ-UHFFFAOYSA-N
MW487.56 g/mol
LogP9.01
Rot. Bonds3

About 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole

2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole (PubChem CID 166134522) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole.

Molecular Properties

Compound Name2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole
PubChem CID166134522
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole
SMILESc1ccc(-c2ccccc2-c2nc(-c3cc4ccc5oc6ccccc6c5c4[nH]3)nc3ccccc23)cc1
InChIInChI=1S/C34H21N3O/c1-2-10-21(11-3-1)23-12-4-5-13-24(23)33-25-14-6-8-16-27(25)36-34(37-33)28-20-22-18-19-30-31(32(22)35-28)26-15-7-9-17-29(26)38-30/h1-20,35H
InChIKeyIUJPCEXXZFYFEJ-UHFFFAOYSA-N
XLogP9.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenyl-9H-carbazol-1-yl)-1H-[1]benzofuro[2,3-g]indole
CID 166134224
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
CID 155326617
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline
CID 156575030
2-chloro-4-dibenzofuran-1-ylquinazoline
CID 126536609
6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine
CID 163388273
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
4-dibenzofuran-1-yl-2-(10-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)quinazoline
CID 167087660
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole?
The IUPAC name of 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole (CID 166134522) is 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole.
What is the SMILES notation for 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole?
The canonical SMILES for 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole is c1ccc(-c2ccccc2-c2nc(-c3cc4ccc5oc6ccccc6c5c4[nH]3)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole?
The InChIKey is IUJPCEXXZFYFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-2-10-21(11-3-1)23-12-4-5-13-24(23)33-25-14-6-8-16-27(25)36-34(37-33)28-20-22-18-19-30-31(32(22)35-28)26-15-7-9-17-29(26)38-30/h1-20,35H.
What are the key properties of 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole?
2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole has a molecular weight of 487.56 g/mol, XLogP of 9.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylphenyl)quinazolin-2-yl]-1H-[1]benzofuro[2,3-g]indole is sourced from PubChem (CID 166134522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).