16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene

C63H38N6 — CID 168811690

About 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene

16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene (PubChem CID 168811690) has the molecular formula C63H38N6 and a molecular weight of 879.04 g/mol. Its IUPAC name is 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene
• PubChem CID: 168811690
• Molecular Formula: C63H38N6
• Molecular Weight: 879.04 g/mol
• Exact Mass: 878.32
• IUPAC Name: 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c(-c2ccc3c(c2)c2ccccc2c2ccccc2c2cccc4c5ccccc5n3c24)c1
• InChI: InChI=1S/C63H38N6/c1-6-28-52(61-64-62(68-55-32-13-7-23-45(55)46-24-8-14-33-56(46)68)66-63(65-61)69-57-34-15-9-25-47(57)48-26-10-16-35-58(48)69)40(18-1)39-36-37-59-53(38-39)44-22-5-3-20-42(44)41-19-2-4-21-43(41)50-29-17-30-51-49-27-11-12-31-54(49)67(59)60(50)51/h1-38H
• InChIKey: NLNNQCJPEKUAPH-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 52.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.04
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene?

The IUPAC name of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene (CID 168811690) is 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene.

What is the SMILES notation for 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene?

The canonical SMILES for 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c(-c2ccc3c(c2)c2ccccc2c2ccccc2c2cccc4c5ccccc5n3c24)c1.

What is the InChIKey of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene?

The InChIKey is NLNNQCJPEKUAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N6/c1-6-28-52(61-64-62(68-55-32-13-7-23-45(55)46-24-8-14-33-56(46)68)66-63(65-61)69-57-34-15-9-25-47(57)48-26-10-16-35-58(48)69)40(18-1)39-36-37-59-53(38-39)44-22-5-3-20-42(44)41-19-2-4-21-43(41)50-29-17-30-51-49-27-11-12-31-54(49)67(59)60(50)51/h1-38H.

What are the key properties of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene?

16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene has a molecular weight of 879.04 g/mol, XLogP of 15.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 168811690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).