5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole

C124H77F3N12 — CID 158284584

About 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole

5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole (PubChem CID 158284584) has the molecular formula C124H77F3N12 and a molecular weight of 1792.06 g/mol. Its IUPAC name is 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole
• PubChem CID: 158284584
• Molecular Formula: C124H77F3N12
• Molecular Weight: 1792.06 g/mol
• Exact Mass: 1790.63
• IUPAC Name: 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole
• SMILES: FC(F)(F)c1cc2ccccc2c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cccnc65)cc4)cc(-c4ccccn4)n3)cc12.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)nc1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)n2)nc1
• InChI: InChI=1S/C42H25F3N4.2C41H26N4/c43-42(44,45)36-23-27-8-1-2-9-31(27)32-19-16-28(22-35(32)36)38-24-29(25-39(48-38)37-12-5-6-20-46-37)26-14-17-30(18-15-26)49-40-13-4-3-10-33(40)34-11-7-21-47-41(34)49;1-2-9-33-27(8-1)14-15-30-24-29(18-21-34(30)33)31-25-37(44-38(26-31)36-11-5-6-22-42-36)28-16-19-32(20-17-28)45-39-12-4-3-10-35(39)41-40(45)13-7-23-43-41;1-2-8-33-27(7-1)12-13-30-23-29(16-19-34(30)33)31-24-38(44-39(25-31)37-10-5-6-21-43-37)28-14-17-32(18-15-28)45-40-11-4-3-9-35(40)36-26-42-22-20-41(36)45/h1-25H;2*1-26H
• InChIKey: GKPUZAAPQVPKNZ-UHFFFAOYSA-N
• XLogP: 31.85
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.06
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole?

The IUPAC name of 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole (CID 158284584) is 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole.

What is the SMILES notation for 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole?

The canonical SMILES for 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole is FC(F)(F)c1cc2ccccc2c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cccnc65)cc4)cc(-c4ccccn4)n3)cc12.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)nc1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)n2)nc1.

What is the InChIKey of 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole?

The InChIKey is GKPUZAAPQVPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F3N4.2C41H26N4/c43-42(44,45)36-23-27-8-1-2-9-31(27)32-19-16-28(22-35(32)36)38-24-29(25-39(48-38)37-12-5-6-20-46-37)26-14-17-30(18-15-26)49-40-13-4-3-10-33(40)34-11-7-21-47-41(34)49;1-2-9-33-27(8-1)14-15-30-24-29(18-21-34(30)33)31-25-37(44-38(26-31)36-11-5-6-22-42-36)28-16-19-32(20-17-28)45-39-12-4-3-10-35(39)41-40(45)13-7-23-43-41;1-2-8-33-27(7-1)12-13-30-23-29(16-19-34(30)33)31-24-38(44-39(25-31)37-10-5-6-21-43-37)28-14-17-32(18-15-28)45-40-11-4-3-9-35(40)36-26-42-22-20-41(36)45/h1-25H;2*1-26H.

What are the key properties of 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole?

5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole has a molecular weight of 1792.06 g/mol, XLogP of 31.85, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 158284584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).