5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole

C38H23N3O — CID 146541874

IUPAC5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3O/c1-3-12-24(13-4-1)35-28-16-7-9-20-31(28)39-38(40-35)30-19-11-18-26-27-22-23-33-34(37(27)42-36(26)30)29-17-8-10-21-32(29)41(33)25-14-5-2-6-15-25/h1-23H
InChIKeyFMPUBNVWDXLTKL-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds3

About 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole

5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 146541874) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID146541874
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3O/c1-3-12-24(13-4-1)35-28-16-7-9-20-31(28)39-38(40-35)30-19-11-18-26-27-22-23-33-34(37(27)42-36(26)30)29-17-8-10-21-32(29)41(33)25-14-5-2-6-15-25/h1-23H
InChIKeyFMPUBNVWDXLTKL-UHFFFAOYSA-N
XLogP9.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 146541875
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
11-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459569
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459883
15-(4-phenylphenyl)-24-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678353
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
14-(3-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122308
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163505765
8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459565
2-dibenzofuran-3-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541281

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 146541874) is 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is FMPUBNVWDXLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-3-12-24(13-4-1)35-28-16-7-9-20-31(28)39-38(40-35)30-19-11-18-26-27-22-23-33-34(37(27)42-36(26)30)29-17-8-10-21-32(29)41(33)25-14-5-2-6-15-25/h1-23H.
What are the key properties of 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 537.62 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146541874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).