23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene

C34H19N3S2 — CID 134361610

About 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene

23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene (PubChem CID 134361610) has the molecular formula C34H19N3S2 and a molecular weight of 533.68 g/mol. Its IUPAC name is 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene.

Molecular Properties

• Compound Name: 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene
• PubChem CID: 134361610
• Molecular Formula: C34H19N3S2
• Molecular Weight: 533.68 g/mol
• Exact Mass: 533.10
• IUPAC Name: 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c5cscc5c5c6ccccc6sc5c43)nc3ccccc23)cc1
• InChI: InChI=1S/C34H19N3S2/c1-2-10-20(11-3-1)31-21-12-4-7-15-26(21)35-34(36-31)37-27-16-8-5-13-22(27)29-24-18-38-19-25(24)30-23-14-6-9-17-28(23)39-33(30)32(29)37/h1-19H
• InChIKey: BTXWAHMAXJVARO-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 30.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.68
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene?

The IUPAC name of 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene (CID 134361610) is 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene.

What is the SMILES notation for 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene?

The canonical SMILES for 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene is c1ccc(-c2nc(-n3c4ccccc4c4c5cscc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.

What is the InChIKey of 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene?

The InChIKey is BTXWAHMAXJVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3S2/c1-2-10-20(11-3-1)31-21-12-4-7-15-26(21)35-34(36-31)37-27-16-8-5-13-22(27)29-24-18-38-19-25(24)30-23-14-6-9-17-28(23)39-33(30)32(29)37/h1-19H.

What are the key properties of 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene?

23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene has a molecular weight of 533.68 g/mol, XLogP of 9.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(4-phenylquinazolin-2-yl)-3,13-dithia-23-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene is sourced from PubChem (CID 134361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).