4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline

C45H28N2S — CID 142469839

IUPAC4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C45H28N2S/c1-2-12-30(13-3-1)43-35-16-6-10-20-40(35)46-44(47-43)31-24-22-29(23-25-31)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45/h1-28H
InChIKeyKNWINLQCDRTUSU-UHFFFAOYSA-N
MW628.80 g/mol
LogP11.46
Rot. Bonds3

About 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline

4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline (PubChem CID 142469839) has the molecular formula C45H28N2S and a molecular weight of 628.80 g/mol. Its IUPAC name is 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline.

Molecular Properties

Compound Name4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline
PubChem CID142469839
Molecular FormulaC45H28N2S
Molecular Weight628.80 g/mol
Exact Mass628.20
IUPAC Name4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C45H28N2S/c1-2-12-30(13-3-1)43-35-16-6-10-20-40(35)46-44(47-43)31-24-22-29(23-25-31)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45/h1-28H
InChIKeyKNWINLQCDRTUSU-UHFFFAOYSA-N
XLogP11.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.80
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylquinazoline
CID 167178363
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737907
21-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-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'-thioxanthene]
CID 164737302
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146326926
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
21-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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'-thioxanthene];21-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-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'-thioxanthene]
CID 164977924
4-phenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylquinazoline
CID 138495929
3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine
CID 163635762
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 166738191
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline?
The IUPAC name of 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline (CID 142469839) is 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline.
What is the SMILES notation for 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline?
The canonical SMILES for 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline?
The InChIKey is KNWINLQCDRTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2S/c1-2-12-30(13-3-1)43-35-16-6-10-20-40(35)46-44(47-43)31-24-22-29(23-25-31)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45/h1-28H.
What are the key properties of 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline?
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline has a molecular weight of 628.80 g/mol, XLogP of 11.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline is sourced from PubChem (CID 142469839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).