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

C59H41N3 — CID 67950911

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

9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole (PubChem CID 67950911) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole
• PubChem CID: 67950911
• Molecular Formula: C59H41N3
• Molecular Weight: 792.00 g/mol
• Exact Mass: 791.33
• IUPAC Name: 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole
• SMILES: C1=CC(c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c3ccccc3c3ccccc32)=CC(c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)n2)C1
• InChI: InChI=1S/C59H41N3/c1-3-16-40(17-4-1)41-30-32-42(33-31-41)46-37-53(43-18-5-2-6-19-43)60-54(38-46)45-21-15-20-44(36-45)52-39-47(61-55-26-11-7-22-48(55)49-23-8-12-27-56(49)61)34-35-59(52)62-57-28-13-9-24-50(57)51-25-10-14-29-58(51)62/h1-20,22-39,45H,21H2
• InChIKey: YLBIMAMTZPFZOD-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.00
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole (CID 67950911) is 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole is C1=CC(c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c3ccccc3c3ccccc32)=CC(c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)n2)C1.

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

The InChIKey is YLBIMAMTZPFZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-3-16-40(17-4-1)41-30-32-42(33-31-41)46-37-53(43-18-5-2-6-19-43)60-54(38-46)45-21-15-20-44(36-45)52-39-47(61-55-26-11-7-22-48(55)49-23-8-12-27-56(49)61)34-35-59(52)62-57-28-13-9-24-50(57)51-25-10-14-29-58(51)62/h1-20,22-39,45H,21H2.

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

9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole has a molecular weight of 792.00 g/mol, XLogP of 15.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole is sourced from PubChem (CID 67950911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).