N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine

C67H43N3 — CID 135167391

About N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine

N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine (PubChem CID 135167391) has the molecular formula C67H43N3 and a molecular weight of 890.10 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine
• PubChem CID: 135167391
• Molecular Formula: C67H43N3
• Molecular Weight: 890.10 g/mol
• Exact Mass: 889.35
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C67H43N3/c1-2-19-44(20-3-1)48-21-4-5-22-49(48)51-24-7-13-32-61(51)68(45-37-39-46(40-38-45)69-62-33-14-8-25-52(62)53-26-9-15-34-63(53)69)47-41-42-58-56(43-47)50-23-6-11-29-57(50)67(58)59-30-12-17-36-65(59)70-64-35-16-10-27-54(64)55-28-18-31-60(67)66(55)70/h1-43H
• InChIKey: JGHOBASCZKVQFZ-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.10
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine (CID 135167391) is N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine?

The InChIKey is JGHOBASCZKVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3/c1-2-19-44(20-3-1)48-21-4-5-22-49(48)51-24-7-13-32-61(51)68(45-37-39-46(40-38-45)69-62-33-14-8-25-52(62)53-26-9-15-34-63(53)69)47-41-42-58-56(43-47)50-23-6-11-29-57(50)67(58)59-30-12-17-36-65(59)70-64-35-16-10-27-54(64)55-28-18-31-60(67)66(55)70/h1-43H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine?

N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine has a molecular weight of 890.10 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]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'-amine is sourced from PubChem (CID 135167391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).