9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C86H54N8 — CID 165151386

About 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 165151386) has the molecular formula C86H54N8 and a molecular weight of 1199.43 g/mol. Its IUPAC name is 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 165151386
• Molecular Formula: C86H54N8
• Molecular Weight: 1199.43 g/mol
• Exact Mass: 1198.45
• IUPAC Name: 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-n8c9ccccc9c9ccccc98)n7)cc6)ccc54)cc3)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C86H54N8/c1-3-21-55(22-4-1)81-87-83(91-85(89-81)69-31-13-19-37-77(69)93-73-33-15-9-25-61(73)62-26-10-16-34-74(62)93)57-43-39-53(40-44-57)59-47-49-67-71(51-59)79-65-29-7-8-30-66(65)80(67)72-52-60(48-50-68(72)79)54-41-45-58(46-42-54)84-88-82(56-23-5-2-6-24-56)90-86(92-84)70-32-14-20-38-78(70)94-75-35-17-11-27-63(75)64-28-12-18-36-76(64)94/h1-52,79-80H
• InChIKey: JRUTZKWUCQRDRO-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.43
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 165151386) is 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-n8c9ccccc9c9ccccc98)n7)cc6)ccc54)cc3)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is JRUTZKWUCQRDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H54N8/c1-3-21-55(22-4-1)81-87-83(91-85(89-81)69-31-13-19-37-77(69)93-73-33-15-9-25-61(73)62-26-10-16-34-74(62)93)57-43-39-53(40-44-57)59-47-49-67-71(51-59)79-65-29-7-8-30-66(65)80(67)72-52-60(48-50-68(72)79)54-41-45-58(46-42-54)84-88-82(56-23-5-2-6-24-56)90-86(92-84)70-32-14-20-38-78(70)94-75-35-17-11-27-63(75)64-28-12-18-36-76(64)94/h1-52,79-80H.

What are the key properties of 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1199.43 g/mol, XLogP of 20.57, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 165151386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).