2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole

C42H25N3O — CID 131979722

IUPAC2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4c5cc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc5ccc43)ncc2c1
InChIInChI=1S/C42H25N3O/c1-4-13-36-30(8-1)25-43-42(44-36)45-37-14-5-2-10-34(37)40-35-24-29(21-20-28(35)22-23-38(40)45)26-16-18-27(19-17-26)31-11-7-12-33-32-9-3-6-15-39(32)46-41(31)33/h1-25H
InChIKeyVJFDEWCALZFBNA-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole

2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole (PubChem CID 131979722) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
PubChem CID131979722
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4c5cc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc5ccc43)ncc2c1
InChIInChI=1S/C42H25N3O/c1-4-13-36-30(8-1)25-43-42(44-36)45-37-14-5-2-10-34(37)40-35-24-29(21-20-28(35)22-23-38(40)45)26-16-18-27(19-17-26)31-11-7-12-33-32-9-3-6-15-39(32)46-41(31)33/h1-25H
InChIKeyVJFDEWCALZFBNA-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
CID 159101464
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979695
5-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163570321
3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979734
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
3-(4-dibenzothiophen-2-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979732
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
CID 134508829
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole (CID 131979722) is 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole is c1ccc2nc(-n3c4ccccc4c4c5cc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc5ccc43)ncc2c1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
The InChIKey is VJFDEWCALZFBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-4-13-36-30(8-1)25-43-42(44-36)45-37-14-5-2-10-34(37)40-35-24-29(21-20-28(35)22-23-38(40)45)26-16-18-27(19-17-26)31-11-7-12-33-32-9-3-6-15-39(32)46-41(31)33/h1-25H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole?
2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole is sourced from PubChem (CID 131979722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).