9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole

C99H60N4 — CID 88948951

About 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole

9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole (PubChem CID 88948951) has the molecular formula C99H60N4 and a molecular weight of 1305.60 g/mol. Its IUPAC name is 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole
• PubChem CID: 88948951
• Molecular Formula: C99H60N4
• Molecular Weight: 1305.60 g/mol
• Exact Mass: 1304.48
• IUPAC Name: 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc(-c6ccc7c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c8ccccc8c7c6)c5)c5c6cccc7c8cc(-c9ccccc9)c(-c9ccccc9)cc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1
• InChI: InChI=1S/C99H60N4/c1-6-25-61(26-7-1)82-58-88-78-41-23-43-80-93(78)94-79(89(88)59-83(82)62-27-8-2-9-28-62)42-24-44-81(94)96-92(64-29-10-3-11-30-64)84(63-47-49-67(50-48-63)99-101-97(65-31-12-4-13-32-65)100-98(102-99)66-33-14-5-15-34-66)60-85(95(80)96)70-36-22-35-68(55-70)69-51-53-74-75-54-52-71(57-87(75)73-38-17-16-37-72(73)86(74)56-69)103-90-45-20-18-39-76(90)77-40-19-21-46-91(77)103/h1-60H
• InChIKey: XQJSZKNAXUONMF-UHFFFAOYSA-N
• XLogP: 26.64
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.60
LogP ≤ 5	26.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole?

The IUPAC name of 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole (CID 88948951) is 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole.

What is the SMILES notation for 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole?

The canonical SMILES for 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc(-c6ccc7c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c8ccccc8c7c6)c5)c5c6cccc7c8cc(-c9ccccc9)c(-c9ccccc9)cc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1.

What is the InChIKey of 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole?

The InChIKey is XQJSZKNAXUONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H60N4/c1-6-25-61(26-7-1)82-58-88-78-41-23-43-80-93(78)94-79(89(88)59-83(82)62-27-8-2-9-28-62)42-24-44-81(94)96-92(64-29-10-3-11-30-64)84(63-47-49-67(50-48-63)99-101-97(65-31-12-4-13-32-65)100-98(102-99)66-33-14-5-15-34-66)60-85(95(80)96)70-36-22-35-68(55-70)69-51-53-74-75-54-52-71(57-87(75)73-38-17-16-37-72(73)86(74)56-69)103-90-45-20-18-39-76(90)77-40-19-21-46-91(77)103/h1-60H.

What are the key properties of 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole?

9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole has a molecular weight of 1305.60 g/mol, XLogP of 26.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,16-triphenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaenyl]phenyl]triphenylen-2-yl]carbazole is sourced from PubChem (CID 88948951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).