8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole

C50H34N6 — CID 145030995

About 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole

8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 145030995) has the molecular formula C50H34N6 and a molecular weight of 718.86 g/mol. Its IUPAC name is 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
• PubChem CID: 145030995
• Molecular Formula: C50H34N6
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.28
• IUPAC Name: 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
• SMILES: C1=CC(c2ccccc2-c2ccccn2)Cc2c1n(-c1cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c1)c1cccnc21
• InChI: InChI=1S/C50H34N6/c1-3-16-39(43-18-5-7-26-51-43)37(14-1)33-22-24-45-41(30-33)49-47(20-10-28-53-49)55(45)35-12-9-13-36(32-35)56-46-25-23-34(31-42(46)50-48(56)21-11-29-54-50)38-15-2-4-17-40(38)44-19-6-8-27-52-44/h1-30,32,34H,31H2
• InChIKey: MVIBFBKRRRLDTF-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?

The IUPAC name of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole (CID 145030995) is 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?

The canonical SMILES for 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole is C1=CC(c2ccccc2-c2ccccn2)Cc2c1n(-c1cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c1)c1cccnc21.

What is the InChIKey of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?

The InChIKey is MVIBFBKRRRLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6/c1-3-16-39(43-18-5-7-26-51-43)37(14-1)33-22-24-45-41(30-33)49-47(20-10-28-53-49)55(45)35-12-9-13-36(32-35)56-46-25-23-34(31-42(46)50-48(56)21-11-29-54-50)38-15-2-4-17-40(38)44-19-6-8-27-52-44/h1-30,32,34H,31H2.

What are the key properties of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?

8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole has a molecular weight of 718.86 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 145030995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).