6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]

C54H33N3O — CID 168855212

IUPAC6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
SMILESc1ccc(-c2nc3ccccc3c3c2-c2ccccc2C32c3ccccc3Oc3c(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cccc32)cc1
InChIInChI=1S/C54H33N3O/c1-3-16-35(17-4-1)50-41-22-9-13-28-46(41)56-53(57-50)37-32-30-34(31-33-37)38-23-15-26-44-52(38)58-47-29-14-11-25-43(47)54(44)42-24-10-7-20-39(42)48-49(54)40-21-8-12-27-45(40)55-51(48)36-18-5-2-6-19-36/h1-33H
InChIKeyYARIAURGWSWMGH-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.31
Rot. Bonds4

About 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]

6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] (PubChem CID 168855212) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene].

Molecular Properties

Compound Name6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
PubChem CID168855212
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
SMILESc1ccc(-c2nc3ccccc3c3c2-c2ccccc2C32c3ccccc3Oc3c(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cccc32)cc1
InChIInChI=1S/C54H33N3O/c1-3-16-35(17-4-1)50-41-22-9-13-28-46(41)56-53(57-50)37-32-30-34(31-33-37)38-23-15-26-44-52(38)58-47-29-14-11-25-43(47)54(44)42-24-10-7-20-39(42)48-49(54)40-21-8-12-27-45(40)55-51(48)36-18-5-2-6-19-36/h1-33H
InChIKeyYARIAURGWSWMGH-UHFFFAOYSA-N
XLogP13.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
CID 166908672
6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694337
3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline
CID 161034640
3-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyridazine;2-phenyl-4-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]quinazoline;4-phenyl-2-[4-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]quinazoline
CID 159042382
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525
CID 146184411
CID 146184411
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The IUPAC name of 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] (CID 168855212) is 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene].
What is the SMILES notation for 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The canonical SMILES for 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] is c1ccc(-c2nc3ccccc3c3c2-c2ccccc2C32c3ccccc3Oc3c(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cccc32)cc1.
What is the InChIKey of 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The InChIKey is YARIAURGWSWMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-16-35(17-4-1)50-41-22-9-13-28-46(41)56-53(57-50)37-32-30-34(31-33-37)38-23-15-26-44-52(38)58-47-29-14-11-25-43(47)54(44)42-24-10-7-20-39(42)48-49(54)40-21-8-12-27-45(40)55-51(48)36-18-5-2-6-19-36/h1-33H.
What are the key properties of 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] has a molecular weight of 739.88 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] is sourced from PubChem (CID 168855212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).