2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline

C47H29N3 — CID 139363878

IUPAC2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
SMILESc1cc(-c2cc(-c3ccc4cc5ccccc5cc4n3)cc(-c3ccc4cc5ccccc5cc4n3)c2)cc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C47H29N3/c1-3-11-34-28-46-37(22-31(34)9-1)17-20-44(49-46)40-25-39(33-13-7-14-36(24-33)43-19-16-30-8-5-6-15-42(30)48-43)26-41(27-40)45-21-18-38-23-32-10-2-4-12-35(32)29-47(38)50-45/h1-29H
InChIKeyXKVBZXOHLQGNQC-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.31
Rot. Bonds4

About 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline

2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline (PubChem CID 139363878) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline.

Molecular Properties

Compound Name2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
PubChem CID139363878
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
SMILESc1cc(-c2cc(-c3ccc4cc5ccccc5cc4n3)cc(-c3ccc4cc5ccccc5cc4n3)c2)cc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C47H29N3/c1-3-11-34-28-46-37(22-31(34)9-1)17-20-44(49-46)40-25-39(33-13-7-14-36(24-33)43-19-16-30-8-5-6-15-42(30)48-43)26-41(27-40)45-21-18-38-23-32-10-2-4-12-35(32)29-47(38)50-45/h1-29H
InChIKeyXKVBZXOHLQGNQC-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
CID 139363998
2-phenylbenzo[g]quinoline
CID 45113076
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 139364165
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
CID 139364036
2-(3-benzo[g]quinolin-2-yl-5-pyridin-4-ylphenyl)benzo[g]quinoline
CID 139364038
2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]quinoline
CID 139363955
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline?
The IUPAC name of 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline (CID 139363878) is 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline.
What is the SMILES notation for 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline?
The canonical SMILES for 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline is c1cc(-c2cc(-c3ccc4cc5ccccc5cc4n3)cc(-c3ccc4cc5ccccc5cc4n3)c2)cc(-c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline?
The InChIKey is XKVBZXOHLQGNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-3-11-34-28-46-37(22-31(34)9-1)17-20-44(49-46)40-25-39(33-13-7-14-36(24-33)43-19-16-30-8-5-6-15-42(30)48-43)26-41(27-40)45-21-18-38-23-32-10-2-4-12-35(32)29-47(38)50-45/h1-29H.
What are the key properties of 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline?
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline is sourced from PubChem (CID 139363878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).