5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

C55H32N2O — CID 158018662

About 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (PubChem CID 158018662) has the molecular formula C55H32N2O and a molecular weight of 736.87 g/mol. Its IUPAC name is 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

Molecular Properties

• Compound Name: 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
• PubChem CID: 158018662
• Molecular Formula: C55H32N2O
• Molecular Weight: 736.87 g/mol
• Exact Mass: 736.25
• IUPAC Name: 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
• SMILES: O=c1c2ccccc2c2cccc3c4cc(-c5ccc6[nH]c7c(-c8cccc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)c8)cccc7c6c5)ccc4n1c23
• InChI: InChI=1S/C55H32N2O/c58-55-47-17-6-5-16-42(47)45-20-9-21-46-50-31-35(24-27-52(50)57(55)54(45)46)34-23-26-51-49(30-34)44-19-8-18-37(53(44)56-51)36-11-7-10-32(28-36)33-22-25-43-40-14-2-1-12-38(40)39-13-3-4-15-41(39)48(43)29-33/h1-31,56H
• InChIKey: AOVXCKRJNHLKFA-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.87
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	1
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 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

The IUPAC name of 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (CID 158018662) is 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

What is the SMILES notation for 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

The canonical SMILES for 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is O=c1c2ccccc2c2cccc3c4cc(-c5ccc6[nH]c7c(-c8cccc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)c8)cccc7c6c5)ccc4n1c23.

What is the InChIKey of 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

The InChIKey is AOVXCKRJNHLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2O/c58-55-47-17-6-5-16-42(47)45-20-9-21-46-50-31-35(24-27-52(50)57(55)54(45)46)34-23-26-51-49(30-34)44-19-8-18-37(53(44)56-51)36-11-7-10-32(28-36)33-22-25-43-40-14-2-1-12-38(40)39-13-3-4-15-41(39)48(43)29-33/h1-31,56H.

What are the key properties of 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one has a molecular weight of 736.87 g/mol, XLogP of 14.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is sourced from PubChem (CID 158018662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).