10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine

C38H24N4 — CID 166056922

IUPAC10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine
SMILESc1ccc(-c2c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C38H24N4/c1-2-11-26(12-3-1)37-30-18-17-27(22-34(30)42-38-29-13-5-4-10-25(29)16-19-31(37)38)28-23-35(32-14-6-8-20-39-32)41-36(24-28)33-15-7-9-21-40-33/h1-24H
InChIKeyWYUKTFJIIZPBPZ-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine

10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine (PubChem CID 166056922) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine.

Molecular Properties

Compound Name10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine
PubChem CID166056922
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine
SMILESc1ccc(-c2c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C38H24N4/c1-2-11-26(12-3-1)37-30-18-17-27(22-34(30)42-38-29-13-5-4-10-25(29)16-19-31(37)38)28-23-35(32-14-6-8-20-39-32)41-36(24-28)33-15-7-9-21-40-33/h1-24H
InChIKeyWYUKTFJIIZPBPZ-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
7-phenyl-2-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139445812
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 134559802
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline
CID 139445668
2-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333
2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445841
7-[4-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]benzo[b][1,10]phenanthroline
CID 139445711
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
7-naphthalen-2-yl-2-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 139445804
13-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445662
1-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185389

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine?
The IUPAC name of 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine (CID 166056922) is 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine.
What is the SMILES notation for 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine?
The canonical SMILES for 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine is c1ccc(-c2c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine?
The InChIKey is WYUKTFJIIZPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-2-11-26(12-3-1)37-30-18-17-27(22-34(30)42-38-29-13-5-4-10-25(29)16-19-31(37)38)28-23-35(32-14-6-8-20-39-32)41-36(24-28)33-15-7-9-21-40-33/h1-24H.
What are the key properties of 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine?
10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine is sourced from PubChem (CID 166056922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).