9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene

C59H36N4S — CID 142293102

About 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene

9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene (PubChem CID 142293102) has the molecular formula C59H36N4S and a molecular weight of 833.03 g/mol. Its IUPAC name is 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene.

Molecular Properties

• Compound Name: 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene
• PubChem CID: 142293102
• Molecular Formula: C59H36N4S
• Molecular Weight: 833.03 g/mol
• Exact Mass: 832.27
• IUPAC Name: 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene
• SMILES: C=C.c1ccc2c(c1)-c1cccc3c1c-2cc1sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc2c13
• InChI: InChI=1S/C57H32N4S.C2H4/c1-3-16-37-33(12-1)14-9-22-43(37)55-58-56(44-23-10-15-34-13-2-4-17-38(34)44)60-57(59-55)61-49-25-8-7-20-41(49)46-30-35(26-28-50(46)61)36-27-29-51-48(31-36)54-45-24-11-21-42-39-18-5-6-19-40(39)47(53(42)45)32-52(54)62-51;1-2/h1-32H;1-2H2
• InChIKey: HKGXBZMNOVWTAV-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.03
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene?

The IUPAC name of 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene (CID 142293102) is 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene.

What is the SMILES notation for 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene?

The canonical SMILES for 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene is C=C.c1ccc2c(c1)-c1cccc3c1c-2cc1sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc2c13.

What is the InChIKey of 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene?

The InChIKey is HKGXBZMNOVWTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4S.C2H4/c1-3-16-37-33(12-1)14-9-22-43(37)55-58-56(44-23-10-15-34-13-2-4-17-38(34)44)60-57(59-55)61-49-25-8-7-20-41(49)46-30-35(26-28-50(46)61)36-27-29-51-48(31-36)54-45-24-11-21-42-39-18-5-6-19-40(39)47(53(42)45)32-52(54)62-51;1-2/h1-32H;1-2H2.

What are the key properties of 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene?

9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene has a molecular weight of 833.03 g/mol, XLogP of 16.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene is sourced from PubChem (CID 142293102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).