1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole

C58H42N4 — CID 71164637

About 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole

1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole (PubChem CID 71164637) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole.

Molecular Properties

• Compound Name: 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole
• PubChem CID: 71164637
• Molecular Formula: C58H42N4
• Molecular Weight: 795.00 g/mol
• Exact Mass: 794.34
• IUPAC Name: 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole
• SMILES: C1=CCC(c2cccc(-n3c4ccccc4c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc7c8ccccc8n(C8CC=CC(c9ccccc9)=N8)c67)c5)c43)n2)C=C1
• InChI: InChI=1S/C58H42N4/c1-4-18-39(19-5-1)42-36-43(45-26-14-28-49-47-24-10-12-32-53(47)61(57(45)49)55-34-16-30-51(59-55)40-20-6-2-7-21-40)38-44(37-42)46-27-15-29-50-48-25-11-13-33-54(48)62(58(46)50)56-35-17-31-52(60-56)41-22-8-3-9-23-41/h1-22,24-33,35-38,41,55H,23,34H2
• InChIKey: FOVFRAUPUADSGY-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 35.11 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.00
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole?

The IUPAC name of 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole (CID 71164637) is 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole.

What is the SMILES notation for 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole?

The canonical SMILES for 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole is C1=CCC(c2cccc(-n3c4ccccc4c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc7c8ccccc8n(C8CC=CC(c9ccccc9)=N8)c67)c5)c43)n2)C=C1.

What is the InChIKey of 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole?

The InChIKey is FOVFRAUPUADSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-4-18-39(19-5-1)42-36-43(45-26-14-28-49-47-24-10-12-32-53(47)61(57(45)49)55-34-16-30-51(59-55)40-20-6-2-7-21-40)38-44(37-42)46-27-15-29-50-48-25-11-13-33-54(48)62(58(46)50)56-35-17-31-52(60-56)41-22-8-3-9-23-41/h1-22,24-33,35-38,41,55H,23,34H2.

What are the key properties of 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole?

1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole has a molecular weight of 795.00 g/mol, XLogP of 14.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole is sourced from PubChem (CID 71164637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).