5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile

C74H47N11 — CID 159924749

About 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile

5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile (PubChem CID 159924749) has the molecular formula C74H47N11 and a molecular weight of 1090.27 g/mol. Its IUPAC name is 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile
• PubChem CID: 159924749
• Molecular Formula: C74H47N11
• Molecular Weight: 1090.27 g/mol
• Exact Mass: 1089.40
• IUPAC Name: 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile
• SMILES: Cc1ccc(-c2cc(-c3cccnc3)nc(-c3ccc(-n4c5ccccc5c5ncccc54)nc3)c2)c2ccccc12.N#Cc1ccc2ccccc2c1-c1cc(-c2ccc(-n3c4ccccc4c4ccncc43)nc2)cc(-c2ccccn2)n1
• InChI: InChI=1S/C37H22N6.C37H25N5/c38-21-25-13-12-24-7-1-2-8-28(24)37(25)33-20-27(19-32(42-33)31-10-5-6-17-40-31)26-14-15-36(41-22-26)43-34-11-4-3-9-29(34)30-16-18-39-23-35(30)43;1-24-14-16-29(30-10-3-2-9-28(24)30)27-20-32(25-8-6-18-38-22-25)41-33(21-27)26-15-17-36(40-23-26)42-34-12-5-4-11-31(34)37-35(42)13-7-19-39-37/h1-20,22-23H;2-23H,1H3
• InChIKey: NYWFEGZXFHEAAO-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 136.77 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1090.27
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile?

The IUPAC name of 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile (CID 159924749) is 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile.

What is the SMILES notation for 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile?

The canonical SMILES for 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile is Cc1ccc(-c2cc(-c3cccnc3)nc(-c3ccc(-n4c5ccccc5c5ncccc54)nc3)c2)c2ccccc12.N#Cc1ccc2ccccc2c1-c1cc(-c2ccc(-n3c4ccccc4c4ccncc43)nc2)cc(-c2ccccn2)n1.

What is the InChIKey of 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile?

The InChIKey is NYWFEGZXFHEAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6.C37H25N5/c38-21-25-13-12-24-7-1-2-8-28(24)37(25)33-20-27(19-32(42-33)31-10-5-6-17-40-31)26-14-15-36(41-22-26)43-34-11-4-3-9-29(34)30-16-18-39-23-35(30)43;1-24-14-16-29(30-10-3-2-9-28(24)30)27-20-32(25-8-6-18-38-22-25)41-33(21-27)26-15-17-36(40-23-26)42-34-12-5-4-11-31(34)37-35(42)13-7-19-39-37/h1-20,22-23H;2-23H,1H3.

What are the key properties of 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile?

5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile has a molecular weight of 1090.27 g/mol, XLogP of 17.22, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 159924749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).