N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine

C62H40N2 — CID 135167982

About N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine

N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine (PubChem CID 135167982) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine
• PubChem CID: 135167982
• Molecular Formula: C62H40N2
• Molecular Weight: 813.02 g/mol
• Exact Mass: 812.32
• IUPAC Name: N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine
• SMILES: c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C62H40N2/c1-3-18-41(19-4-1)61(52-27-11-7-22-46(52)47-23-8-12-28-53(47)61)42-34-36-44(37-35-42)63(43-20-5-2-6-21-43)45-38-39-49-48-24-9-13-29-54(48)62(57(49)40-45)55-30-14-16-33-59(55)64-58-32-15-10-25-50(58)51-26-17-31-56(62)60(51)64/h1-40H
• InChIKey: HILNSKVOMOEBSE-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.02
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine?

The IUPAC name of N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine (CID 135167982) is N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine.

What is the SMILES notation for N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine?

The canonical SMILES for N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine is c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine?

The InChIKey is HILNSKVOMOEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-18-41(19-4-1)61(52-27-11-7-22-46(52)47-23-8-12-28-53(47)61)42-34-36-44(37-35-42)63(43-20-5-2-6-21-43)45-38-39-49-48-24-9-13-29-54(48)62(57(49)40-45)55-30-14-16-33-59(55)64-58-32-15-10-25-50(58)51-26-17-31-56(62)60(51)64/h1-40H.

What are the key properties of N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine?

N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine has a molecular weight of 813.02 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-(9-phenylfluoren-9-yl)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]-2'-amine is sourced from PubChem (CID 135167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).