15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

C52H28N4S — CID 163745623

About 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (PubChem CID 163745623) has the molecular formula C52H28N4S and a molecular weight of 740.89 g/mol. Its IUPAC name is 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 163745623
• Molecular Formula: C52H28N4S
• Molecular Weight: 740.89 g/mol
• Exact Mass: 740.20
• IUPAC Name: 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• SMILES: c1ccc2c(-c3ccc(-c4nc(-n5c6ccc7sc8cccc9c8c7c6c6c5ccc5c7ccccc7n9c56)nc5ccc6ccccc6c45)cc3)cccc2c1
• InChI: InChI=1S/C52H28N4S/c1-3-12-33-29(9-1)11-7-15-34(33)31-19-21-32(22-20-31)50-45-35-13-4-2-10-30(35)23-25-38(45)53-52(54-50)56-41-27-28-44-49-46-40(17-8-18-43(46)57-44)55-39-16-6-5-14-36(39)37-24-26-42(56)48(47(41)49)51(37)55/h1-28H
• InChIKey: LLPMVDCCNRRBPZ-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 35.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.89
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (CID 163745623) is 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is c1ccc2c(-c3ccc(-c4nc(-n5c6ccc7sc8cccc9c8c7c6c6c5ccc5c7ccccc7n9c56)nc5ccc6ccccc6c45)cc3)cccc2c1.

What is the InChIKey of 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The InChIKey is LLPMVDCCNRRBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N4S/c1-3-12-33-29(9-1)11-7-15-34(33)31-19-21-32(22-20-31)50-45-35-13-4-2-10-30(35)23-25-38(45)53-52(54-50)56-41-27-28-44-49-46-40(17-8-18-43(46)57-44)55-39-16-6-5-14-36(39)37-24-26-42(56)48(47(41)49)51(37)55/h1-28H.

What are the key properties of 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene has a molecular weight of 740.89 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[1-(4-naphthalen-1-ylphenyl)benzo[f]quinazolin-3-yl]-10-thia-15,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 163745623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).