4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline

C45H26N2O — CID 147565947

IUPAC4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C45H26N2O/c1-2-13-27(14-3-1)42-32-18-7-11-24-40(32)46-44(47-42)33-20-12-19-31-35-25-34-30-17-6-10-23-38(30)45(39(34)26-41(35)48-43(31)33)36-21-8-4-15-28(36)29-16-5-9-22-37(29)45/h1-26H
InChIKeyFTOJJQZYMLIHGS-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.21
Rot. Bonds2

About 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline

4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline (PubChem CID 147565947) has the molecular formula C45H26N2O and a molecular weight of 610.72 g/mol. Its IUPAC name is 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline.

Molecular Properties

Compound Name4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline
PubChem CID147565947
Molecular FormulaC45H26N2O
Molecular Weight610.72 g/mol
Exact Mass610.20
IUPAC Name4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C45H26N2O/c1-2-13-27(14-3-1)42-32-18-7-11-24-40(32)46-44(47-42)33-20-12-19-31-35-25-34-30-17-6-10-23-38(30)45(39(34)26-41(35)48-43(31)33)36-21-8-4-15-28(36)29-16-5-9-22-37(29)45/h1-26H
InChIKeyFTOJJQZYMLIHGS-UHFFFAOYSA-N
XLogP11.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline 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-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine
CID 167340470
21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394137
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
CID 153483775
16-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-thioxanthene]
CID 164737458
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
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
21-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615611
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;methane
CID 160570361

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline?
The IUPAC name of 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline (CID 147565947) is 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline.
What is the SMILES notation for 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline?
The canonical SMILES for 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline is c1ccc(-c2nc(-c3cccc4c3oc3cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline?
The InChIKey is FTOJJQZYMLIHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O/c1-2-13-27(14-3-1)42-32-18-7-11-24-40(32)46-44(47-42)33-20-12-19-31-35-25-34-30-17-6-10-23-38(30)45(39(34)26-41(35)48-43(31)33)36-21-8-4-15-28(36)29-16-5-9-22-37(29)45/h1-26H.
What are the key properties of 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline?
4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline has a molecular weight of 610.72 g/mol, XLogP of 11.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline is sourced from PubChem (CID 147565947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).