24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

C40H24N4 — CID 142565409

About 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (PubChem CID 142565409) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
• PubChem CID: 142565409
• Molecular Formula: C40H24N4
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.20
• IUPAC Name: 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5cc6ccccc6n5c43)nc3c2ccc2ccccc23)cc1
• InChI: InChI=1S/C40H24N4/c1-2-13-26(14-3-1)37-32-23-22-25-12-4-6-16-28(25)38(32)42-40(41-37)44-34-21-11-9-19-31(34)36-30-18-8-7-17-29(30)35-24-27-15-5-10-20-33(27)43(35)39(36)44/h1-24H
• InChIKey: BNXYWTQPLFCCLE-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	10.11
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 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (CID 142565409) is 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5cc6ccccc6n5c43)nc3c2ccc2ccccc23)cc1.

What is the InChIKey of 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

The InChIKey is BNXYWTQPLFCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c1-2-13-26(14-3-1)37-32-23-22-25-12-4-6-16-28(25)38(32)42-40(41-37)44-34-21-11-9-19-31(34)36-30-18-8-7-17-29(30)35-24-27-15-5-10-20-33(27)43(35)39(36)44/h1-24H.

What are the key properties of 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene has a molecular weight of 560.66 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-phenylbenzo[h]quinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 142565409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).