5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole

C44H30N6 — CID 67966056

About 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole

5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole (PubChem CID 67966056) has the molecular formula C44H30N6 and a molecular weight of 642.77 g/mol. Its IUPAC name is 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole
• PubChem CID: 67966056
• Molecular Formula: C44H30N6
• Molecular Weight: 642.77 g/mol
• Exact Mass: 642.25
• IUPAC Name: 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole
• SMILES: C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ncccc76)c5)cn4)nc3)cc2)NC1
• InChI: InChI=1S/C44H30N6/c1-3-12-39-35(10-1)43-41(14-6-24-45-43)49(39)33-20-16-29(17-21-33)31-18-22-37(47-27-31)38-23-19-32(28-48-38)30-8-5-9-34(26-30)50-40-13-4-2-11-36(40)44-42(50)15-7-25-46-44/h1-23,25-28,45H,24H2
• InChIKey: MSEGEGINOGRARB-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 60.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.77
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole (CID 67966056) is 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole is C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ncccc76)c5)cn4)nc3)cc2)NC1.

What is the InChIKey of 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole?

The InChIKey is MSEGEGINOGRARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6/c1-3-12-39-35(10-1)43-41(14-6-24-45-43)49(39)33-20-16-29(17-21-33)31-18-22-37(47-27-31)38-23-19-32(28-48-38)30-8-5-9-34(26-30)50-40-13-4-2-11-36(40)44-42(50)15-7-25-46-44/h1-23,25-28,45H,24H2.

What are the key properties of 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole?

5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole has a molecular weight of 642.77 g/mol, XLogP of 10.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 67966056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).