8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene

C62H51N3S — CID 177285858

About 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene

8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene (PubChem CID 177285858) has the molecular formula C62H51N3S and a molecular weight of 870.18 g/mol. Its IUPAC name is 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene.

Molecular Properties

• Compound Name: 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene
• PubChem CID: 177285858
• Molecular Formula: C62H51N3S
• Molecular Weight: 870.18 g/mol
• Exact Mass: 869.38
• IUPAC Name: 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4ccc5c(c6cc(C(C)(C)C)cc7c8c9ccccc9sc8n5c76)c4n2c13
• InChI: InChI=1S/C62H51N3S/c1-60(2,3)35-28-42(34-23-25-50-43(27-34)39-19-13-15-21-49(39)63(50)38-17-11-10-12-18-38)55-45(30-35)46-31-36(61(4,5)6)29-44-40-24-26-51-54(58(40)65(55)56(44)46)48-33-37(62(7,8)9)32-47-53-41-20-14-16-22-52(41)66-59(53)64(51)57(47)48/h10-33H,1-9H3
• InChIKey: ONNZFSCRPAUVLN-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 13.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.18
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene?

The IUPAC name of 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene (CID 177285858) is 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene.

What is the SMILES notation for 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene?

The canonical SMILES for 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4ccc5c(c6cc(C(C)(C)C)cc7c8c9ccccc9sc8n5c76)c4n2c13.

What is the InChIKey of 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene?

The InChIKey is ONNZFSCRPAUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N3S/c1-60(2,3)35-28-42(34-23-25-50-43(27-34)39-19-13-15-21-49(39)63(50)38-17-11-10-12-18-38)55-45(30-35)46-31-36(61(4,5)6)29-44-40-24-26-51-54(58(40)65(55)56(44)46)48-33-37(62(7,8)9)32-47-53-41-20-14-16-22-52(41)66-59(53)64(51)57(47)48/h10-33H,1-9H3.

What are the key properties of 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene?

8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene has a molecular weight of 870.18 g/mol, XLogP of 17.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,32-tritert-butyl-6-(9-phenylcarbazol-3-yl)-22-thia-4,20-diazadecacyclo[18.13.1.14,11.02,19.03,16.05,10.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),5(10),6,8,11,13,15(35),17,21(29),23,25,27,30(34),31-hexadecaene is sourced from PubChem (CID 177285858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).