2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline

C45H28N2 — CID 167177421

IUPAC2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3n2)cc1
InChIInChI=1S/C45H28N2/c1-2-13-29(14-3-1)44-46-42-24-11-7-20-37(42)43(47-44)32-16-12-15-30(27-32)31-25-26-36-35-19-6-10-23-40(35)45(41(36)28-31)38-21-8-4-17-33(38)34-18-5-9-22-39(34)45/h1-28H
InChIKeyUPBJQNJSZIXFJY-UHFFFAOYSA-N
MW596.73 g/mol
LogP10.97
Rot. Bonds3

About 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline

2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline (PubChem CID 167177421) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
PubChem CID167177421
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3n2)cc1
InChIInChI=1S/C45H28N2/c1-2-13-29(14-3-1)44-46-42-24-11-7-20-37(42)43(47-44)32-16-12-15-30(27-32)31-25-26-36-35-19-6-10-23-40(35)45(41(36)28-31)38-21-8-4-17-33(38)34-18-5-9-22-39(34)45/h1-28H
InChIKeyUPBJQNJSZIXFJY-UHFFFAOYSA-N
XLogP10.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 158243649
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 139306466
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
4-(4-phenylphenyl)-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylquinazoline
CID 153357768
2-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296967
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline?
The IUPAC name of 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline (CID 167177421) is 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline?
The canonical SMILES for 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline?
The InChIKey is UPBJQNJSZIXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-2-13-29(14-3-1)44-46-42-24-11-7-20-37(42)43(47-44)32-16-12-15-30(27-32)31-25-26-36-35-19-6-10-23-40(35)45(41(36)28-31)38-21-8-4-17-33(38)34-18-5-9-22-39(34)45/h1-28H.
What are the key properties of 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline?
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline has a molecular weight of 596.73 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline is sourced from PubChem (CID 167177421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).