5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole

C50H34N6 — CID 67966174

About 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole

5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole (PubChem CID 67966174) has the molecular formula C50H34N6 and a molecular weight of 718.86 g/mol. Its IUPAC name is 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole
• PubChem CID: 67966174
• Molecular Formula: C50H34N6
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.28
• IUPAC Name: 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole
• SMILES: C1=CC2C(N=C1)c1ccccc1N2c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ncccc65)c4)n3)n2)cc1
• InChI: InChI=1S/C50H34N6/c1-2-12-33(13-3-1)35-30-36(32-38(31-35)56-46-21-7-5-15-40(46)50-48(56)23-11-29-52-50)42-17-9-19-44(54-42)43-18-8-16-41(53-43)34-24-26-37(27-25-34)55-45-20-6-4-14-39(45)49-47(55)22-10-28-51-49/h1-32,47,49H
• InChIKey: KINHOUROUCKHDJ-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 59.20 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	11.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole (CID 67966174) is 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole is C1=CC2C(N=C1)c1ccccc1N2c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ncccc65)c4)n3)n2)cc1.

What is the InChIKey of 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole?

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

What are the key properties of 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole?

5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole has a molecular weight of 718.86 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[6-[4-(4a,9b-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-5-phenylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 67966174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).