10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene

C60H36N6 — CID 172548367

About 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene

10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene (PubChem CID 172548367) has the molecular formula C60H36N6 and a molecular weight of 840.99 g/mol. Its IUPAC name is 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene
• PubChem CID: 172548367
• Molecular Formula: C60H36N6
• Molecular Weight: 840.99 g/mol
• Exact Mass: 840.30
• IUPAC Name: 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene
• SMILES: c1ccc2c(c1)-c1ccccc1C2c1nc(-c2ccc3c(c2)c2ccccc2n2c4ccccc4c4c5ccccc5n(c5ccccc35)c42)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C60H36N6/c1-3-23-44-37(17-1)38-18-2-4-24-45(38)55(44)58-61-57(62-60(63-58)66-51-29-13-6-20-41(51)42-21-7-14-30-52(42)66)36-33-34-39-40-19-5-11-27-49(40)64-53-31-15-9-25-46(53)56-47-26-10-16-32-54(47)65(59(56)64)50-28-12-8-22-43(50)48(39)35-36/h1-35,55H
• InChIKey: DNWKZBXRTZITAE-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 52.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.99
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene?

The IUPAC name of 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene (CID 172548367) is 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene.

What is the SMILES notation for 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene?

The canonical SMILES for 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene is c1ccc2c(c1)-c1ccccc1C2c1nc(-c2ccc3c(c2)c2ccccc2n2c4ccccc4c4c5ccccc5n(c5ccccc35)c42)nc(-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene?

The InChIKey is DNWKZBXRTZITAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6/c1-3-23-44-37(17-1)38-18-2-4-24-45(38)55(44)58-61-57(62-60(63-58)66-51-29-13-6-20-41(51)42-21-7-14-30-52(42)66)36-33-34-39-40-19-5-11-27-49(40)64-53-31-15-9-25-46(53)56-47-26-10-16-32-54(47)65(59(56)64)50-28-12-8-22-43(50)48(39)35-36/h1-35,55H.

What are the key properties of 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene?

10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene has a molecular weight of 840.99 g/mol, XLogP of 14.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-1,20-diazaoctacyclo[18.13.1.02,7.08,13.014,19.021,26.027,34.028,33]tetratriaconta-2,4,6,8(13),9,11,14,16,18,21,23,25,27(34),28,30,32-hexadecaene is sourced from PubChem (CID 172548367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).