5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C52H30N4 — CID 145243136

About 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 145243136) has the molecular formula C52H30N4 and a molecular weight of 710.84 g/mol. Its IUPAC name is 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 145243136
• Molecular Formula: C52H30N4
• Molecular Weight: 710.84 g/mol
• Exact Mass: 710.25
• IUPAC Name: 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc2cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)ccc54)nc4ccc5ccccc5c34)ccc2c1
• InChI: InChI=1S/C52H30N4/c1-2-12-33-28-36(21-20-31(33)10-1)50-49-37-13-4-3-11-32(37)22-25-44(49)53-52(54-50)56-46-19-8-6-15-39(46)42-29-34(24-27-48(42)56)35-23-26-47-43(30-35)41-17-9-16-40-38-14-5-7-18-45(38)55(47)51(40)41/h1-30H
• InChIKey: SMFWVUPQBUNEIA-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.84
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 145243136) is 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)ccc54)nc4ccc5ccccc5c34)ccc2c1.

What is the InChIKey of 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is SMFWVUPQBUNEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4/c1-2-12-33-28-36(21-20-31(33)10-1)50-49-37-13-4-3-11-32(37)22-25-44(49)53-52(54-50)56-46-19-8-6-15-39(46)42-29-34(24-27-48(42)56)35-23-26-47-43(30-35)41-17-9-16-40-38-14-5-7-18-45(38)55(47)51(40)41/h1-30H.

What are the key properties of 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 710.84 g/mol, XLogP of 13.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(1-naphthalen-2-ylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 145243136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).