4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline

C45H30N2O — CID 170281920

IUPAC4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline
SMILESc1ccc(C2=NC(c3cccc4oc5c(C6c7ccccc7-c7ccc(-c8ccccc8)cc76)cccc5c34)Nc3ccccc32)cc1
InChIInChI=1S/C45H30N2O/c1-3-13-28(14-4-1)30-25-26-32-31-17-7-8-18-33(31)41(38(32)27-30)35-20-11-21-36-42-37(22-12-24-40(42)48-44(35)36)45-46-39-23-10-9-19-34(39)43(47-45)29-15-5-2-6-16-29/h1-27,41,45-46H
InChIKeyJXKASQXMNYRPJL-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.38
Rot. Bonds4

About 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline

4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline (PubChem CID 170281920) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline.

Molecular Properties

Compound Name4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline
PubChem CID170281920
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline
SMILESc1ccc(C2=NC(c3cccc4oc5c(C6c7ccccc7-c7ccc(-c8ccccc8)cc76)cccc5c34)Nc3ccccc32)cc1
InChIInChI=1S/C45H30N2O/c1-3-13-28(14-4-1)30-25-26-32-31-17-7-8-18-33(31)41(38(32)27-30)35-20-11-21-36-42-37(22-12-24-40(42)48-44(35)36)45-46-39-23-10-9-19-34(39)43(47-45)29-15-5-2-6-16-29/h1-27,41,45-46H
InChIKeyJXKASQXMNYRPJL-UHFFFAOYSA-N
XLogP11.38
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 139307181
2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
CID 146335613
4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran
CID 90215135
3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90076067
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 169033683
2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,2-dihydroquinazoline
CID 146322075
2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
CID 146335944
2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337573
4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
CID 142356030

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline?
The IUPAC name of 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline (CID 170281920) is 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline.
What is the SMILES notation for 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline?
The canonical SMILES for 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline is c1ccc(C2=NC(c3cccc4oc5c(C6c7ccccc7-c7ccc(-c8ccccc8)cc76)cccc5c34)Nc3ccccc32)cc1.
What is the InChIKey of 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline?
The InChIKey is JXKASQXMNYRPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-3-13-28(14-4-1)30-25-26-32-31-17-7-8-18-33(31)41(38(32)27-30)35-20-11-21-36-42-37(22-12-24-40(42)48-44(35)36)45-46-39-23-10-9-19-34(39)43(47-45)29-15-5-2-6-16-29/h1-27,41,45-46H.
What are the key properties of 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline?
4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline has a molecular weight of 614.75 g/mol, XLogP of 11.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline is sourced from PubChem (CID 170281920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).