2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline

C51H32N2O — CID 130233123

IUPAC2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
SMILESc1ccc(-c2ccc3nc(-c4ccc5oc6c7c(ccc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H32N2O/c1-5-15-33(16-6-1)35-25-29-45-43(31-35)48(34-17-7-2-8-18-34)53-50(52-45)36-26-30-46-42(32-36)41-28-27-40-39-23-13-14-24-44(39)51(47(40)49(41)54-46,37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-32H
InChIKeyCTXMUZUJCFDSDT-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.89
Rot. Bonds5

About 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline

2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline (PubChem CID 130233123) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline.

Molecular Properties

Compound Name2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
PubChem CID130233123
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
SMILESc1ccc(-c2ccc3nc(-c4ccc5oc6c7c(ccc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H32N2O/c1-5-15-33(16-6-1)35-25-29-45-43(31-35)48(34-17-7-2-8-18-34)53-50(52-45)36-26-30-46-42(32-36)41-28-27-40-39-23-13-14-24-44(39)51(47(40)49(41)54-46,37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-32H
InChIKeyCTXMUZUJCFDSDT-UHFFFAOYSA-N
XLogP12.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline with MolForge

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Related Compounds

4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 157121907
2,4-diphenyl-6-[6-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 162487314
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 174361695
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
CID 154589173
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline
CID 160852756
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
The IUPAC name of 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline (CID 130233123) is 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline.
What is the SMILES notation for 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
The canonical SMILES for 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline is c1ccc(-c2ccc3nc(-c4ccc5oc6c7c(ccc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
The InChIKey is CTXMUZUJCFDSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-5-15-33(16-6-1)35-25-29-45-43(31-35)48(34-17-7-2-8-18-34)53-50(52-45)36-26-30-46-42(32-36)41-28-27-40-39-23-13-14-24-44(39)51(47(40)49(41)54-46,37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-32H.
What are the key properties of 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline has a molecular weight of 688.83 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline is sourced from PubChem (CID 130233123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).