2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline

C32H20N2 — CID 10741400

IUPAC2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
SMILESc1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccccc4c3n2)c1
InChIInChI=1S/C32H20N2/c1-3-10-27-21(6-1)12-14-23-16-18-29(33-31(23)27)25-8-5-9-26(20-25)30-19-17-24-15-13-22-7-2-4-11-28(22)32(24)34-30/h1-20H
InChIKeyBLVUCLQHJHATAV-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.42
Rot. Bonds2

About 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline

2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline (PubChem CID 10741400) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
PubChem CID10741400
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
SMILESc1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccccc4c3n2)c1
InChIInChI=1S/C32H20N2/c1-3-10-27-21(6-1)12-14-23-16-18-29(33-31(23)27)25-8-5-9-26(20-25)30-19-17-24-15-13-22-7-2-4-11-28(22)32(24)34-30/h1-20H
InChIKeyBLVUCLQHJHATAV-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
CID 89063916
CID 89063916
9-tert-butyl-2-[3-(9-tert-butylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010429
2-(3-acridin-9-ylphenyl)-9-(3-naphthalen-1-ylphenyl)-1,10-phenanthroline
CID 134167787
2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 155022869

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline?
The IUPAC name of 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline (CID 10741400) is 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline.
What is the SMILES notation for 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline?
The canonical SMILES for 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline is c1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccccc4c3n2)c1.
What is the InChIKey of 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline?
The InChIKey is BLVUCLQHJHATAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-3-10-27-21(6-1)12-14-23-16-18-29(33-31(23)27)25-8-5-9-26(20-25)30-19-17-24-15-13-22-7-2-4-11-28(22)32(24)34-30/h1-20H.
What are the key properties of 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline?
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline has a molecular weight of 432.53 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 10741400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).