2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline

C44H27N3O — CID 166914683

IUPAC2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc4n3)c2)nc1
InChIInChI=1S/C44H27N3O/c1-4-19-34-30(15-1)31-16-2-5-20-35(31)44(34)36-21-6-8-25-40(36)48-42-33(18-12-22-37(42)44)41-32-17-3-7-24-39(32)46-43(47-41)29-14-11-13-28(27-29)38-23-9-10-26-45-38/h1-27H
InChIKeyPTWQTJLKXDHJDZ-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.49
Rot. Bonds3

About 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline

2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline (PubChem CID 166914683) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline.

Molecular Properties

Compound Name2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline
PubChem CID166914683
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc4n3)c2)nc1
InChIInChI=1S/C44H27N3O/c1-4-19-34-30(15-1)31-16-2-5-20-35(31)44(34)36-21-6-8-25-40(36)48-42-33(18-12-22-37(42)44)41-32-17-3-7-24-39(32)46-43(47-41)29-14-11-13-28(27-29)38-23-9-10-26-45-38/h1-27H
InChIKeyPTWQTJLKXDHJDZ-UHFFFAOYSA-N
XLogP10.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995811
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
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
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694337
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline?
The IUPAC name of 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline (CID 166914683) is 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline.
What is the SMILES notation for 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline?
The canonical SMILES for 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline is c1ccc(-c2cccc(-c3nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc4n3)c2)nc1.
What is the InChIKey of 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline?
The InChIKey is PTWQTJLKXDHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-4-19-34-30(15-1)31-16-2-5-20-35(31)44(34)36-21-6-8-25-40(36)48-42-33(18-12-22-37(42)44)41-32-17-3-7-24-39(32)46-43(47-41)29-14-11-13-28(27-29)38-23-9-10-26-45-38/h1-27H.
What are the key properties of 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline?
2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline has a molecular weight of 613.72 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline is sourced from PubChem (CID 166914683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).