10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene

C48H28N4S — CID 135273957

About 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene

10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene (PubChem CID 135273957) has the molecular formula C48H28N4S and a molecular weight of 692.85 g/mol. Its IUPAC name is 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene.

Molecular Properties

• Compound Name: 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene
• PubChem CID: 135273957
• Molecular Formula: C48H28N4S
• Molecular Weight: 692.85 g/mol
• Exact Mass: 692.20
• IUPAC Name: 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7c(ccc65)Sc5cccc6cccc-7c56)nc5ccccc45)ccc32)cc1
• InChI: InChI=1S/C48H28N4S/c1-2-14-31(15-3-1)51-38-21-8-5-16-32(38)36-28-30(24-25-40(36)51)47-33-17-4-7-20-37(33)49-48(50-47)52-39-22-9-6-18-34(39)45-41(52)26-27-43-46(45)35-19-10-12-29-13-11-23-42(53-43)44(29)35/h1-28H
• InChIKey: LJHJIBWQGZECAS-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 35.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.85
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene?

The IUPAC name of 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene (CID 135273957) is 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene.

What is the SMILES notation for 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene?

The canonical SMILES for 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7c(ccc65)Sc5cccc6cccc-7c56)nc5ccccc45)ccc32)cc1.

What is the InChIKey of 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene?

The InChIKey is LJHJIBWQGZECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4S/c1-2-14-31(15-3-1)51-38-21-8-5-16-32(38)36-28-30(24-25-40(36)51)47-33-17-4-7-20-37(33)49-48(50-47)52-39-22-9-6-18-34(39)45-41(52)26-27-43-46(45)35-19-10-12-29-13-11-23-42(53-43)44(29)35/h1-28H.

What are the key properties of 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene?

10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene has a molecular weight of 692.85 g/mol, XLogP of 12.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-15-thia-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene is sourced from PubChem (CID 135273957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).