2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline

C35H23N3 — CID 129265511

IUPAC2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6ccccc6c5n4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H23N3/c1-3-10-25(11-4-1)32-23-33(38-35(37-32)29-12-5-2-6-13-29)27-18-16-26(17-19-27)31-22-21-28-20-15-24-9-7-8-14-30(24)34(28)36-31/h1-23H
InChIKeyFOBJPJWABGAGLN-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline

2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline (PubChem CID 129265511) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
PubChem CID129265511
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6ccccc6c5n4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H23N3/c1-3-10-25(11-4-1)32-23-33(38-35(37-32)29-12-5-2-6-13-29)27-18-16-26(17-19-27)31-22-21-28-20-15-24-9-7-8-14-30(24)34(28)36-31/h1-23H
InChIKeyFOBJPJWABGAGLN-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
CID 165009451
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenylbenzo[g]quinoline
CID 139364076
3-[4-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792574
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 156545444
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
2-[3-[6-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-[6-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 159863187
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline (CID 129265511) is 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6ccccc6c5n4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline?
The InChIKey is FOBJPJWABGAGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-3-10-25(11-4-1)32-23-33(38-35(37-32)29-12-5-2-6-13-29)27-18-16-26(17-19-27)31-22-21-28-20-15-24-9-7-8-14-30(24)34(28)36-31/h1-23H.
What are the key properties of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline?
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 129265511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).