5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole

C44H28N6 — CID 58099053

About 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 58099053) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 58099053
• Molecular Formula: C44H28N6
• Molecular Weight: 640.75 g/mol
• Exact Mass: 640.24
• IUPAC Name: 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
• SMILES: c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cn3)nc2)cc(-n2c3ccccc3c3cnccc32)c1
• InChI: InChI=1S/C44H28N6/c1-3-11-40-35(9-1)37-28-45-24-22-42(37)50(40)34-8-5-7-30(25-34)32-17-21-39(48-27-32)38-20-16-31(26-47-38)29-14-18-33(19-15-29)49-41-12-4-2-10-36(41)44-43(49)13-6-23-46-44/h1-28H
• InChIKey: HZCIQPVWONGBIQ-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.75
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 58099053) is 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole is c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cn3)nc2)cc(-n2c3ccccc3c3cnccc32)c1.

What is the InChIKey of 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is HZCIQPVWONGBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-11-40-35(9-1)37-28-45-24-22-42(37)50(40)34-8-5-7-30(25-34)32-17-21-39(48-27-32)38-20-16-31(26-47-38)29-14-18-33(19-15-29)49-41-12-4-2-10-36(41)44-43(49)13-6-23-46-44/h1-28H.

What are the key properties of 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?

5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58099053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).