10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene

C62H42N6 — CID 90270443

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene (PubChem CID 90270443) has the molecular formula C62H42N6 and a molecular weight of 871.06 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene.

Molecular Properties

• Compound Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene
• PubChem CID: 90270443
• Molecular Formula: C62H42N6
• Molecular Weight: 871.06 g/mol
• Exact Mass: 870.35
• IUPAC Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2c1c1cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc1n2-c1ccccc1
• InChI: InChI=1S/C62H42N6/c1-62(2)51-29-17-15-28-46(51)58-57(62)50-37-49-48-36-42(41-31-33-53-47(35-41)45-27-16-18-30-52(45)66(53)43-23-11-5-12-24-43)32-34-54(48)68(55(49)38-56(50)67(58)44-25-13-6-14-26-44)61-64-59(39-19-7-3-8-20-39)63-60(65-61)40-21-9-4-10-22-40/h3-38H,1-2H3
• InChIKey: DLIWJSASCVFBEN-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.06
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene?

The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene (CID 90270443) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene.

What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene?

The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene is CC1(C)c2ccccc2-c2c1c1cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc1n2-c1ccccc1.

What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene?

The InChIKey is DLIWJSASCVFBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N6/c1-62(2)51-29-17-15-28-46(51)58-57(62)50-37-49-48-36-42(41-31-33-53-47(35-41)45-27-16-18-30-52(45)66(53)43-23-11-5-12-24-43)32-34-54(48)68(55(49)38-56(50)67(58)44-25-13-6-14-26-44)61-64-59(39-19-7-3-8-20-39)63-60(65-61)40-21-9-4-10-22-40/h3-38H,1-2H3.

What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene?

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene has a molecular weight of 871.06 g/mol, XLogP of 15.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene is sourced from PubChem (CID 90270443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).