5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one

C56H38N4O — CID 146647275

About 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one

5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one (PubChem CID 146647275) has the molecular formula C56H38N4O and a molecular weight of 782.95 g/mol. Its IUPAC name is 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one.

Molecular Properties

• Compound Name: 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one
• PubChem CID: 146647275
• Molecular Formula: C56H38N4O
• Molecular Weight: 782.95 g/mol
• Exact Mass: 782.30
• IUPAC Name: 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one
• SMILES: O=c1c2c(-c3ccccc3)nc(C3CCc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2c2ncccc2n1-c1ccccc1
• InChI: InChI=1S/C56H38N4O/c61-56-53-48(55-52(25-14-32-57-55)60(56)41-20-8-3-9-21-41)35-49(58-54(53)37-16-4-1-5-17-37)44-30-26-36-15-10-11-22-42(36)46-33-38(27-29-43(44)46)39-28-31-51-47(34-39)45-23-12-13-24-50(45)59(51)40-18-6-2-7-19-40/h1-25,27-29,31-35,44H,26,30H2
• InChIKey: MDVFRJAVROCZEJ-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 52.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.95
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one?

The IUPAC name of 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one (CID 146647275) is 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one.

What is the SMILES notation for 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one?

The canonical SMILES for 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one is O=c1c2c(-c3ccccc3)nc(C3CCc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2c2ncccc2n1-c1ccccc1.

What is the InChIKey of 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one?

The InChIKey is MDVFRJAVROCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4O/c61-56-53-48(55-52(25-14-32-57-55)60(56)41-20-8-3-9-21-41)35-49(58-54(53)37-16-4-1-5-17-37)44-30-26-36-15-10-11-22-42(36)46-33-38(27-29-43(44)46)39-28-31-51-47(34-39)45-23-12-13-24-50(45)59(51)40-18-6-2-7-19-40/h1-25,27-29,31-35,44H,26,30H2.

What are the key properties of 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one?

5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one has a molecular weight of 782.95 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one is sourced from PubChem (CID 146647275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).