15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C54H32N4O — CID 126678360

About 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126678360) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126678360
• Molecular Formula: C54H32N4O
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.26
• IUPAC Name: 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6c(ccc7ccccc76)n5)c34)cc2)cc1
• InChI: InChI=1S/C54H32N4O/c1-3-13-33(14-4-1)34-23-26-37(27-24-34)57-44-21-11-9-20-41(44)49-45(57)32-29-42-50-46(31-28-40-39-19-10-12-22-47(39)59-53(40)50)58(52(42)49)54-55-43-30-25-35-15-7-8-18-38(35)48(43)51(56-54)36-16-5-2-6-17-36/h1-32H
• InChIKey: HXHNYSBCYKIGIT-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.88
LogP ≤ 5	14.21
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-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126678360) is 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6c(ccc7ccccc76)n5)c34)cc2)cc1.

What is the InChIKey of 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is HXHNYSBCYKIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-3-13-33(14-4-1)34-23-26-37(27-24-34)57-44-21-11-9-20-41(44)49-45(57)32-29-42-50-46(31-28-40-39-19-10-12-22-47(39)59-53(40)50)58(52(42)49)54-55-43-30-25-35-15-7-8-18-38(35)48(43)51(56-54)36-16-5-2-6-17-36/h1-32H.

What are the key properties of 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 752.88 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126678360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).