N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine

C62H41N3 — CID 129123678

About N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine (PubChem CID 129123678) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
• PubChem CID: 129123678
• Molecular Formula: C62H41N3
• Molecular Weight: 828.03 g/mol
• Exact Mass: 827.33
• IUPAC Name: N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
• SMILES: c1ccc(N(c2ccc(-c3nc4ccccc4c4c3ccc3c4c4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C62H41N3/c1-5-19-43(20-6-1)62(44-21-7-2-8-22-44)54-30-16-13-27-49(54)50-38-37-48(41-55(50)62)64(45-23-9-3-10-24-45)47-35-33-42(34-36-47)61-53-39-40-58-60(59(53)51-28-14-17-31-56(51)63-61)52-29-15-18-32-57(52)65(58)46-25-11-4-12-26-46/h1-41H
• InChIKey: GIIXVWXOOKUEHE-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.03
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

The IUPAC name of N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine (CID 129123678) is N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine is c1ccc(N(c2ccc(-c3nc4ccccc4c4c3ccc3c4c4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

The InChIKey is GIIXVWXOOKUEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-5-19-43(20-6-1)62(44-21-7-2-8-22-44)54-30-16-13-27-49(54)50-38-37-48(41-55(50)62)64(45-23-9-3-10-24-45)47-35-33-42(34-36-47)61-53-39-40-58-60(59(53)51-28-14-17-31-56(51)63-61)52-29-15-18-32-57(52)65(58)46-25-11-4-12-26-46/h1-41H.

What are the key properties of N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?

N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine has a molecular weight of 828.03 g/mol, XLogP of 15.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 129123678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).