10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C60H35N — CID 121446866

About 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 121446866) has the molecular formula C60H35N and a molecular weight of 769.95 g/mol. Its IUPAC name is 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 121446866
• Molecular Formula: C60H35N
• Molecular Weight: 769.95 g/mol
• Exact Mass: 769.28
• IUPAC Name: 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc2c(c1)-c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1-n1c3ccccc3c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc-2c31
• InChI: InChI=1S/C60H35N/c1-3-17-44-40(13-1)42-15-5-7-19-46(42)53-31-36(25-28-50(44)53)37-27-30-59-55(33-37)48-21-9-10-22-49(48)56-34-39(35-57-52-23-11-12-24-58(52)61(59)60(56)57)38-26-29-51-45-18-4-2-14-41(45)43-16-6-8-20-47(43)54(51)32-38/h1-35H
• InChIKey: FRYREQNNXFJKOZ-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.95
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 121446866) is 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc2c(c1)-c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1-n1c3ccccc3c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc-2c31.

What is the InChIKey of 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is FRYREQNNXFJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N/c1-3-17-44-40(13-1)42-15-5-7-19-46(42)53-31-36(25-28-50(44)53)37-27-30-59-55(33-37)48-21-9-10-22-49(48)56-34-39(35-57-52-23-11-12-24-58(52)61(59)60(56)57)38-26-29-51-45-18-4-2-14-41(45)43-16-6-8-20-47(43)54(51)32-38/h1-35H.

What are the key properties of 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 769.95 g/mol, XLogP of 16.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 121446866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).