20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene

C53H31N5S — CID 134361608

About 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene

20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene (PubChem CID 134361608) has the molecular formula C53H31N5S and a molecular weight of 769.93 g/mol. Its IUPAC name is 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
• PubChem CID: 134361608
• Molecular Formula: C53H31N5S
• Molecular Weight: 769.93 g/mol
• Exact Mass: 769.23
• IUPAC Name: 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
• SMILES: c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5c5c6ncccc6sc5c43)nc3ccccc23)cc1
• InChI: InChI=1S/C53H31N5S/c1-3-14-32(15-4-1)49-39-21-9-11-22-42(39)55-53(56-49)58-45-28-26-34(33-25-27-44-40(30-33)36-18-10-12-23-43(36)57(44)35-16-5-2-6-17-35)31-41(45)47-37-19-7-8-20-38(37)48-50-46(24-13-29-54-50)59-52(48)51(47)58/h1-31H
• InChIKey: SJRUEGKBRXTGIR-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.93
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

The IUPAC name of 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene (CID 134361608) is 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene.

What is the SMILES notation for 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

The canonical SMILES for 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene is c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5c5c6ncccc6sc5c43)nc3ccccc23)cc1.

What is the InChIKey of 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

The InChIKey is SJRUEGKBRXTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5S/c1-3-14-32(15-4-1)49-39-21-9-11-22-42(39)55-53(56-49)58-45-28-26-34(33-25-27-44-40(30-33)36-18-10-12-23-43(36)57(44)35-16-5-2-6-17-35)31-41(45)47-37-19-7-8-20-38(37)48-50-46(24-13-29-54-50)59-52(48)51(47)58/h1-31H.

What are the key properties of 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene has a molecular weight of 769.93 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 134361608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).