2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline

C45H28N2O — CID 135176963

IUPAC2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C45H28N2O/c1-4-14-29(15-5-1)43-34-21-11-13-23-40(34)46-44(47-43)30-24-25-41-36(26-30)37-27-35-33-20-10-12-22-38(33)45(31-16-6-2-7-17-31,32-18-8-3-9-19-32)39(35)28-42(37)48-41/h1-28H
InChIKeyLZVGDYDXWRIDOD-UHFFFAOYSA-N
MW612.73 g/mol
LogP11.23
Rot. Bonds4

About 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline

2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline (PubChem CID 135176963) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
PubChem CID135176963
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC Name2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C45H28N2O/c1-4-14-29(15-5-1)43-34-21-11-13-23-40(34)46-44(47-43)30-24-25-41-36(26-30)37-27-35-33-20-10-12-22-38(33)45(31-16-6-2-7-17-31,32-18-8-3-9-19-32)39(35)28-42(37)48-41/h1-28H
InChIKeyLZVGDYDXWRIDOD-UHFFFAOYSA-N
XLogP11.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline
CID 147565947
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
10,10-diphenyl-21-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159098065
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)-4-(4-phenylphenyl)quinazoline
CID 138573837
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581603
2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 130233123
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 146367846
6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
CID 154589173
21-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124319

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline?
The IUPAC name of 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline (CID 135176963) is 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline?
The InChIKey is LZVGDYDXWRIDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-4-14-29(15-5-1)43-34-21-11-13-23-40(34)46-44(47-43)30-24-25-41-36(26-30)37-27-35-33-20-10-12-22-38(33)45(31-16-6-2-7-17-31,32-18-8-3-9-19-32)39(35)28-42(37)48-41/h1-28H.
What are the key properties of 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline?
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline has a molecular weight of 612.73 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline is sourced from PubChem (CID 135176963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).