5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole

C145H94N12 — CID 159976548

About 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 159976548) has the molecular formula C145H94N12 and a molecular weight of 2004.43 g/mol. Its IUPAC name is 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 159976548
• Molecular Formula: C145H94N12
• Molecular Weight: 2004.43 g/mol
• Exact Mass: 2002.77
• IUPAC Name: 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• SMILES: C1=CC2c3ncccc3N(c3ccc(-c4cccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)n5)n4)cc3)C2C=C1.c1cc(-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)n3)n2)cc(-n2c3ccccc3c3ncccc32)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cnccc76)c5)n4)n3)c3ccccc23)cc1
• InChI: InChI=1S/C51H32N4.C47H30N4.C47H32N4/c1-2-14-34-31-36(29-28-33(34)13-1)49-38-17-3-5-19-40(38)50(41-20-6-4-18-39(41)49)46-25-11-24-45(54-46)44-23-10-22-43(53-44)35-15-9-16-37(32-35)55-47-26-8-7-21-42(47)51-48(55)27-12-30-52-51;1-2-13-31(14-3-1)46-35-18-4-6-20-37(35)47(38-21-7-5-19-36(38)46)43-25-12-24-42(50-43)41-23-11-22-40(49-41)32-15-10-16-33(29-32)51-44-26-9-8-17-34(44)39-30-48-28-27-45(39)51;1-2-13-32(14-3-1)45-34-15-4-6-17-36(34)46(37-18-7-5-16-35(37)45)42-23-11-22-41(50-42)40-21-10-20-39(49-40)31-26-28-33(29-27-31)51-43-24-9-8-19-38(43)47-44(51)25-12-30-48-47/h1-32H;1-30H;1-30,38,43H
• InChIKey: OFFQTFFUQMMROP-UHFFFAOYSA-N
• XLogP: 36.62
• TPSA: 129.11 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.43
LogP ≤ 5	36.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 159976548) is 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole is C1=CC2c3ncccc3N(c3ccc(-c4cccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)n5)n4)cc3)C2C=C1.c1cc(-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)n3)n2)cc(-n2c3ccccc3c3ncccc32)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cnccc76)c5)n4)n3)c3ccccc23)cc1.

What is the InChIKey of 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is OFFQTFFUQMMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4.C47H30N4.C47H32N4/c1-2-14-34-31-36(29-28-33(34)13-1)49-38-17-3-5-19-40(38)50(41-20-6-4-18-39(41)49)46-25-11-24-45(54-46)44-23-10-22-43(53-44)35-15-9-16-37(32-35)55-47-26-8-7-21-42(47)51-48(55)27-12-30-52-51;1-2-13-31(14-3-1)46-35-18-4-6-20-37(35)47(38-21-7-5-19-36(38)46)43-25-12-24-42(50-43)41-23-11-22-40(49-41)32-15-10-16-33(29-32)51-44-26-9-8-17-34(44)39-30-48-28-27-45(39)51;1-2-13-32(14-3-1)45-34-15-4-6-17-36(34)46(37-18-7-5-16-35(37)45)42-23-11-22-41(50-42)40-21-10-20-39(49-40)31-26-28-33(29-27-31)51-43-24-9-8-19-38(43)47-44(51)25-12-30-48-47/h1-32H;1-30H;1-30,38,43H.

What are the key properties of 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 2004.43 g/mol, XLogP of 36.62, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]-5a,9a-dihydropyrido[3,2-b]indole;5-[3-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 159976548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).