N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine

C63H42N2 — CID 146508618

About N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine (PubChem CID 146508618) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine
• PubChem CID: 146508618
• Molecular Formula: C63H42N2
• Molecular Weight: 827.04 g/mol
• Exact Mass: 826.33
• IUPAC Name: N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2c3c4cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)ccc4c4ccccc4c3n3ccccc23)cc1
• InChI: InChI=1S/C63H42N2/c1-5-19-44(20-6-1)60-59-31-17-18-40-64(59)62-55-29-14-13-27-51(55)52-38-34-45(41-56(52)61(60)62)43-32-35-49(36-33-43)65(48-25-11-4-12-26-48)50-37-39-54-53-28-15-16-30-57(53)63(58(54)42-50,46-21-7-2-8-22-46)47-23-9-3-10-24-47/h1-42H
• InChIKey: FJQMGRGHNIZOGU-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.04
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine?

The IUPAC name of N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine (CID 146508618) is N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine is c1ccc(-c2c3c4cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)ccc4c4ccccc4c3n3ccccc23)cc1.

What is the InChIKey of N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine?

The InChIKey is FJQMGRGHNIZOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-5-19-44(20-6-1)60-59-31-17-18-40-64(59)62-55-29-14-13-27-51(55)52-38-34-45(41-56(52)61(60)62)43-32-35-49(36-33-43)65(48-25-11-4-12-26-48)50-37-39-54-53-28-15-16-30-57(53)63(58(54)42-50,46-21-7-2-8-22-46)47-23-9-3-10-24-47/h1-42H.

What are the key properties of N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine?

N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine has a molecular weight of 827.04 g/mol, XLogP of 16.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146508618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).