24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C60H36N4S — CID 130452319

About 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 130452319) has the molecular formula C60H36N4S and a molecular weight of 845.04 g/mol. Its IUPAC name is 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
• PubChem CID: 130452319
• Molecular Formula: C60H36N4S
• Molecular Weight: 845.04 g/mol
• Exact Mass: 844.27
• IUPAC Name: 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)cc4c4c5ccccc5c5c6ccccc6sc5c43)c2)cc1
• InChI: InChI=1S/C60H36N4S/c1-3-16-37(17-4-1)39-20-15-21-42(34-39)63-53-33-31-41(36-49(53)55-44-23-7-8-24-45(44)56-47-26-11-14-29-54(47)65-59(56)58(55)63)40-30-32-52-48(35-40)43-22-10-13-28-51(43)64(52)60-61-50-27-12-9-25-46(50)57(62-60)38-18-5-2-6-19-38/h1-36H
• InChIKey: ZRFAJKAHBBYDBW-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 35.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.04
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

The IUPAC name of 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 130452319) is 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

What is the SMILES notation for 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

The canonical SMILES for 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)cc4c4c5ccccc5c5c6ccccc6sc5c43)c2)cc1.

What is the InChIKey of 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

The InChIKey is ZRFAJKAHBBYDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4S/c1-3-16-37(17-4-1)39-20-15-21-42(34-39)63-53-33-31-41(36-49(53)55-44-23-7-8-24-45(44)56-47-26-11-14-29-54(47)65-59(56)58(55)63)40-30-32-52-48(35-40)43-22-10-13-28-51(43)64(52)60-61-50-27-12-9-25-46(50)57(62-60)38-18-5-2-6-19-38/h1-36H.

What are the key properties of 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?

24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 845.04 g/mol, XLogP of 16.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 130452319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).