27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene

C54H32N2S — CID 139575097

About 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene

27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene (PubChem CID 139575097) has the molecular formula C54H32N2S and a molecular weight of 740.93 g/mol. Its IUPAC name is 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene.

Molecular Properties

• Compound Name: 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene
• PubChem CID: 139575097
• Molecular Formula: C54H32N2S
• Molecular Weight: 740.93 g/mol
• Exact Mass: 740.23
• IUPAC Name: 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccc7c8ccccc8c8cccc9sc%10cccc(c%10c98)n6c75)ccc43)cc2)cc1
• InChI: InChI=1S/C54H32N2S/c1-2-11-33(12-3-1)34-23-27-37(28-24-34)55-46-19-7-6-15-40(46)44-31-35(25-29-47(44)55)36-26-30-48-45(32-36)43-18-8-17-42-39-14-5-4-13-38(39)41-16-9-21-50-52(41)53-49(56(48)54(42)43)20-10-22-51(53)57-50/h1-32H
• InChIKey: ZDRVLQFDPIXIPE-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 9.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.93
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?

The IUPAC name of 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene (CID 139575097) is 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene.

What is the SMILES notation for 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?

The canonical SMILES for 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccc7c8ccccc8c8cccc9sc%10cccc(c%10c98)n6c75)ccc43)cc2)cc1.

What is the InChIKey of 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?

The InChIKey is ZDRVLQFDPIXIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S/c1-2-11-33(12-3-1)34-23-27-37(28-24-34)55-46-19-7-6-15-40(46)44-31-35(25-29-47(44)55)36-26-30-48-45(32-36)43-18-8-17-42-39-14-5-4-13-38(39)41-16-9-21-50-52(41)53-49(56(48)54(42)43)20-10-22-51(53)57-50/h1-32H.

What are the key properties of 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?

27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene has a molecular weight of 740.93 g/mol, XLogP of 15.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 27-[9-(4-phenylphenyl)carbazol-3-yl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene is sourced from PubChem (CID 139575097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).