N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine

C67H42N2 — CID 118180065

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine (PubChem CID 118180065) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine
• PubChem CID: 118180065
• Molecular Formula: C67H42N2
• Molecular Weight: 875.09 g/mol
• Exact Mass: 874.33
• IUPAC Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C67H42N2/c1-2-14-52-50(12-1)51-13-3-4-17-55(51)63-41-49(37-39-56(52)63)68(47-33-28-43(29-34-47)42-24-26-45(27-25-42)66-59-19-7-5-15-53(59)54-16-6-8-20-60(54)66)48-35-30-44(31-36-48)46-32-38-58-62-22-11-21-61-57-18-9-10-23-64(57)69(67(61)62)65(58)40-46/h1-41,66H
• InChIKey: HGIDZLCITXQVCS-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.09
LogP ≤ 5	18.26
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-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine (CID 118180065) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine.

What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine is c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

The InChIKey is HGIDZLCITXQVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-2-14-52-50(12-1)51-13-3-4-17-55(51)63-41-49(37-39-56(52)63)68(47-33-28-43(29-34-47)42-24-26-45(27-25-42)66-59-19-7-5-15-53(59)54-16-6-8-20-60(54)66)48-35-30-44(31-36-48)46-32-38-58-62-22-11-21-61-57-18-9-10-23-64(57)69(67(61)62)65(58)40-46/h1-41,66H.

What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine has a molecular weight of 875.09 g/mol, XLogP of 18.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 118180065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).