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

C96H60N10 — CID 160544614

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

9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 160544614) has the molecular formula C96H60N10 and a molecular weight of 1353.61 g/mol. Its IUPAC name is 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
• PubChem CID: 160544614
• Molecular Formula: C96H60N10
• Molecular Weight: 1353.61 g/mol
• Exact Mass: 1352.50
• IUPAC Name: 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-n5c6ccccc6c6cnccc65)nc4)cc(-c4ccccn4)n3)c3ccccc23)cc1.c1cncc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)nc3)cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)n2)c1
• InChI: InChI=1S/C50H31N5.C46H29N5/c1-2-11-33-26-34(20-19-32(33)10-1)49-40-14-3-5-16-42(40)50(43-17-6-4-15-41(43)49)45-28-37(27-44(54-45)36-12-9-24-51-29-36)35-21-22-48(53-30-35)55-46-18-8-7-13-38(46)39-23-25-52-31-47(39)55;1-2-12-30(13-3-1)45-34-15-4-6-17-36(34)46(37-18-7-5-16-35(37)45)41-27-32(26-40(50-41)39-19-10-11-24-48-39)31-21-22-44(49-28-31)51-42-20-9-8-14-33(42)38-29-47-25-23-43(38)51/h1-31H;1-29H
• InChIKey: QXGIUSNNOXDDDO-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.61
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 160544614) is 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

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

The canonical SMILES for 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-n5c6ccccc6c6cnccc65)nc4)cc(-c4ccccn4)n3)c3ccccc23)cc1.c1cncc(-c2cc(-c3ccc(-n4c5ccccc5c5ccncc54)nc3)cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)n2)c1.

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

The InChIKey is QXGIUSNNOXDDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5.C46H29N5/c1-2-11-33-26-34(20-19-32(33)10-1)49-40-14-3-5-16-42(40)50(43-17-6-4-15-41(43)49)45-28-37(27-44(54-45)36-12-9-24-51-29-36)35-21-22-48(53-30-35)55-46-18-8-7-13-38(46)39-23-25-52-31-47(39)55;1-2-12-30(13-3-1)45-34-15-4-6-17-36(34)46(37-18-7-5-16-35(37)45)41-27-32(26-40(50-41)39-19-10-11-24-48-39)31-21-22-44(49-28-31)51-42-20-9-8-14-33(42)38-29-47-25-23-43(38)51/h1-31H;1-29H.

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

9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1353.61 g/mol, XLogP of 23.83, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 160544614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).