26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C54H32N4 — CID 160537867

About 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 160537867) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 160537867
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2cccc(-c3cc4ccccc4c4c(-c5ccccc5)nc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)nc34)c2)cc1
• InChI: InChI=1S/C54H32N4/c1-3-15-33(16-4-1)35-20-11-21-36(31-35)43-32-37-19-7-8-22-38(37)49-51(34-17-5-2-6-18-34)55-54(56-52(43)49)58-45-28-13-24-40-42-26-12-25-41-39-23-9-10-27-44(39)57(53(41)42)46-29-14-30-47(58)50(46)48(40)45/h1-32H
• InChIKey: ZEDSYWGCIZODCX-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.88
LogP ≤ 5	14.03
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 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 160537867) is 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-c2cccc(-c3cc4ccccc4c4c(-c5ccccc5)nc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)nc34)c2)cc1.

What is the InChIKey of 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is ZEDSYWGCIZODCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c1-3-15-33(16-4-1)35-20-11-21-36(31-35)43-32-37-19-7-8-22-38(37)49-51(34-17-5-2-6-18-34)55-54(56-52(43)49)58-45-28-13-24-40-42-26-12-25-41-39-23-9-10-27-44(39)57(53(41)42)46-29-14-30-47(58)50(46)48(40)45/h1-32H.

What are the key properties of 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 736.88 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[1-phenyl-5-(3-phenylphenyl)benzo[f]quinazolin-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 160537867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).