24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

C48H27N3OS — CID 155335704

About 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (PubChem CID 155335704) has the molecular formula C48H27N3OS and a molecular weight of 693.83 g/mol. Its IUPAC name is 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 155335704
• Molecular Formula: C48H27N3OS
• Molecular Weight: 693.83 g/mol
• Exact Mass: 693.19
• IUPAC Name: 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2ccc3oc4c(c3c2)c2ccccc2c2c3ccccc3n(-c3nc(-c5cccc6c5sc5ccccc56)c5ccccc5n3)c42)cc1
• InChI: InChI=1S/C48H27N3OS/c1-2-13-28(14-3-1)29-25-26-40-37(27-29)43-32-17-5-4-16-31(32)42-35-19-7-10-23-39(35)51(45(42)46(43)52-40)48-49-38-22-9-6-18-34(38)44(50-48)36-21-12-20-33-30-15-8-11-24-41(30)53-47(33)36/h1-27H
• InChIKey: DURHHLYNZKZGHO-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 43.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.83
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (CID 155335704) is 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2ccc3oc4c(c3c2)c2ccccc2c2c3ccccc3n(-c3nc(-c5cccc6c5sc5ccccc56)c5ccccc5n3)c42)cc1.

What is the InChIKey of 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?

The InChIKey is DURHHLYNZKZGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3OS/c1-2-13-28(14-3-1)29-25-26-40-37(27-29)43-32-17-5-4-16-31(32)42-35-19-7-10-23-39(35)51(45(42)46(43)52-40)48-49-38-22-9-6-18-34(38)44(50-48)36-21-12-20-33-30-15-8-11-24-41(30)53-47(33)36/h1-27H.

What are the key properties of 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?

24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene has a molecular weight of 693.83 g/mol, XLogP of 13.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-dibenzothiophen-4-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 155335704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).