8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline

C35H23N3O — CID 130465718

IUPAC8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6cccnc56)c4)nc(-c4ccco4)n3)cc2)cc1
InChIInChI=1S/C35H23N3O/c1-2-8-24(9-3-1)25-16-18-26(19-17-25)31-23-32(38-35(37-31)33-15-7-21-39-33)29-12-4-11-28(22-29)30-14-5-10-27-13-6-20-36-34(27)30/h1-23H
InChIKeyQNIOBVAULYDYDQ-UHFFFAOYSA-N
MW501.59 g/mol
LogP8.95
Rot. Bonds5

About 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline

8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline (PubChem CID 130465718) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
PubChem CID130465718
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6cccnc56)c4)nc(-c4ccco4)n3)cc2)cc1
InChIInChI=1S/C35H23N3O/c1-2-8-24(9-3-1)25-16-18-26(19-17-25)31-23-32(38-35(37-31)33-15-7-21-39-33)29-12-4-11-28(22-29)30-14-5-10-27-13-6-20-36-34(27)30/h1-23H
InChIKeyQNIOBVAULYDYDQ-UHFFFAOYSA-N
XLogP8.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155603380
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
mercury;8-phenylquinoline;hydrate
CID 174770535
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidine
CID 130465590
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
8-[4-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71105044
8-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-thioxanthene]-2-yl]quinoline
CID 146547163
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline (CID 130465718) is 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6cccnc56)c4)nc(-c4ccco4)n3)cc2)cc1.
What is the InChIKey of 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The InChIKey is QNIOBVAULYDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c1-2-8-24(9-3-1)25-16-18-26(19-17-25)31-23-32(38-35(37-31)33-15-7-21-39-33)29-12-4-11-28(22-29)30-14-5-10-27-13-6-20-36-34(27)30/h1-23H.
What are the key properties of 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline has a molecular weight of 501.59 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 130465718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).