8,9-diphenylpyreno[1,2-b]pyridine

C31H19N — CID 139095285

IUPAC8,9-diphenylpyreno[1,2-b]pyridine
SMILESc1ccc(-c2cc3cc4ccc5cccc6ccc(c3nc2-c2ccccc2)c4c56)cc1
InChIInChI=1S/C31H19N/c1-3-8-20(9-4-1)27-19-25-18-24-15-14-21-12-7-13-22-16-17-26(29(24)28(21)22)31(25)32-30(27)23-10-5-2-6-11-23/h1-19H
InChIKeyBRQKVAAKLVYSKI-UHFFFAOYSA-N
MW405.50 g/mol
LogP8.47
Rot. Bonds2

About 8,9-diphenylpyreno[1,2-b]pyridine

8,9-diphenylpyreno[1,2-b]pyridine (PubChem CID 139095285) has the molecular formula C31H19N and a molecular weight of 405.50 g/mol. Its IUPAC name is 8,9-diphenylpyreno[1,2-b]pyridine.

Molecular Properties

Compound Name8,9-diphenylpyreno[1,2-b]pyridine
PubChem CID139095285
Molecular FormulaC31H19N
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name8,9-diphenylpyreno[1,2-b]pyridine
SMILESc1ccc(-c2cc3cc4ccc5cccc6ccc(c3nc2-c2ccccc2)c4c56)cc1
InChIInChI=1S/C31H19N/c1-3-8-20(9-4-1)27-19-25-18-24-15-14-21-12-7-13-22-16-17-26(29(24)28(21)22)31(25)32-30(27)23-10-5-2-6-11-23/h1-19H
InChIKeyBRQKVAAKLVYSKI-UHFFFAOYSA-N
XLogP8.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-9-(4-pyren-4-ylphenyl)-1,10-phenanthroline
CID 154932795
1-phenylpyreno[1,2-b]pyridine
CID 89296855
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303240
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
CID 91537355
2-phenyl-9-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 121460965
2-(4-phenylnaphthalen-1-yl)pyrene
CID 140737016
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981

Frequently Asked Questions

What is the IUPAC name of 8,9-diphenylpyreno[1,2-b]pyridine?
The IUPAC name of 8,9-diphenylpyreno[1,2-b]pyridine (CID 139095285) is 8,9-diphenylpyreno[1,2-b]pyridine.
What is the SMILES notation for 8,9-diphenylpyreno[1,2-b]pyridine?
The canonical SMILES for 8,9-diphenylpyreno[1,2-b]pyridine is c1ccc(-c2cc3cc4ccc5cccc6ccc(c3nc2-c2ccccc2)c4c56)cc1.
What is the InChIKey of 8,9-diphenylpyreno[1,2-b]pyridine?
The InChIKey is BRQKVAAKLVYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N/c1-3-8-20(9-4-1)27-19-25-18-24-15-14-21-12-7-13-22-16-17-26(29(24)28(21)22)31(25)32-30(27)23-10-5-2-6-11-23/h1-19H.
What are the key properties of 8,9-diphenylpyreno[1,2-b]pyridine?
8,9-diphenylpyreno[1,2-b]pyridine has a molecular weight of 405.50 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diphenylpyreno[1,2-b]pyridine is sourced from PubChem (CID 139095285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).