3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C66H41N3 — CID 142481659

About 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 142481659) has the molecular formula C66H41N3 and a molecular weight of 876.08 g/mol. Its IUPAC name is 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 142481659
• Molecular Formula: C66H41N3
• Molecular Weight: 876.08 g/mol
• Exact Mass: 875.33
• IUPAC Name: 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1
• InChI: InChI=1S/C66H41N3/c1-3-18-42(19-4-1)46-40-58(43-20-5-2-6-21-43)67-59(41-46)52-28-17-30-56-64(52)53-39-45(44-22-15-23-47(38-44)68-60-32-11-7-24-48(60)49-25-8-12-33-61(49)68)36-37-54(53)66(56)55-29-10-14-35-63(55)69-62-34-13-9-26-50(62)51-27-16-31-57(66)65(51)69/h1-41H
• InChIKey: VTEGYDLVFRDRBW-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.08
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 142481659) is 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.

What is the InChIKey of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is VTEGYDLVFRDRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3/c1-3-18-42(19-4-1)46-40-58(43-20-5-2-6-21-43)67-59(41-46)52-28-17-30-56-64(52)53-39-45(44-22-15-23-47(38-44)68-60-32-11-7-24-48(60)49-25-8-12-33-61(49)68)36-37-54(53)66(56)55-29-10-14-35-63(55)69-62-34-13-9-26-50(62)51-27-16-31-57(66)65(51)69/h1-41H.

What are the key properties of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 876.08 g/mol, XLogP of 16.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 142481659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).