6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C76H44N2 — CID 155334926

About 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 155334926) has the molecular formula C76H44N2 and a molecular weight of 985.20 g/mol. Its IUPAC name is 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 155334926
• Molecular Formula: C76H44N2
• Molecular Weight: 985.20 g/mol
• Exact Mass: 984.35
• IUPAC Name: 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2c3cccc(-c4ccc(-c5cccc6c5c5cccc7c8ccccc8n6c75)c5ccccc45)c3cc3c(-c4ccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c5ccccc45)cccc23)cc1
• InChI: InChI=1S/C76H44N2/c1-2-18-45(19-3-1)72-59-29-14-27-50(52-38-40-54(48-22-6-4-20-46(48)52)58-31-17-37-71-73(58)65-33-16-32-62-56-24-8-12-35-69(56)78(71)75(62)65)66(59)44-67-51(28-15-30-60(67)72)53-39-41-55(49-23-7-5-21-47(49)53)61-42-43-63-57-25-9-11-34-68(57)77-70-36-13-10-26-64(70)74(61)76(63)77/h1-44H
• InChIKey: ZMIFNCKEABKTMW-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.20
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 155334926) is 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-c2c3cccc(-c4ccc(-c5cccc6c5c5cccc7c8ccccc8n6c75)c5ccccc45)c3cc3c(-c4ccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c5ccccc45)cccc23)cc1.

What is the InChIKey of 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is ZMIFNCKEABKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H44N2/c1-2-18-45(19-3-1)72-59-29-14-27-50(52-38-40-54(48-22-6-4-20-46(48)52)58-31-17-37-71-73(58)65-33-16-32-62-56-24-8-12-35-69(56)78(71)75(62)65)66(59)44-67-51(28-15-30-60(67)72)53-39-41-55(49-23-7-5-21-47(49)53)61-42-43-63-57-25-9-11-34-68(57)77-70-36-13-10-26-64(70)74(61)76(63)77/h1-44H.

What are the key properties of 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 985.20 g/mol, XLogP of 20.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 155334926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).