6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one

C36H22N2O — CID 146302394

IUPAC6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one
SMILESO=c1c2ccncc2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C36H22N2O/c39-36-32-18-19-37-22-34(32)31-14-5-6-15-35(31)38(36)25-9-7-8-23(20-25)24-16-17-30-28-12-2-1-10-26(28)27-11-3-4-13-29(27)33(30)21-24/h1-22H
InChIKeyJMUAZIGLNLBCOY-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.67
Rot. Bonds2

About 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one

6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one (PubChem CID 146302394) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one.

Molecular Properties

Compound Name6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one
PubChem CID146302394
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one
SMILESO=c1c2ccncc2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C36H22N2O/c39-36-32-18-19-37-22-34(32)31-14-5-6-15-35(31)38(36)25-9-7-8-23(20-25)24-16-17-30-28-12-2-1-10-26(28)27-11-3-4-13-29(27)33(30)21-24/h1-22H
InChIKeyJMUAZIGLNLBCOY-UHFFFAOYSA-N
XLogP8.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.67
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

5-(3-triphenylen-2-ylphenyl)pyrido[4,3-c][1,5]naphthyridin-6-one
CID 146311269
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322

Frequently Asked Questions

What is the IUPAC name of 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one?
The IUPAC name of 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one (CID 146302394) is 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one.
What is the SMILES notation for 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one?
The canonical SMILES for 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one is O=c1c2ccncc2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one?
The InChIKey is JMUAZIGLNLBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c39-36-32-18-19-37-22-34(32)31-14-5-6-15-35(31)38(36)25-9-7-8-23(20-25)24-16-17-30-28-12-2-1-10-26(28)27-11-3-4-13-29(27)33(30)21-24/h1-22H.
What are the key properties of 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one?
6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one has a molecular weight of 498.59 g/mol, XLogP of 8.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one is sourced from PubChem (CID 146302394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).