2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole

C85H55N5 — CID 126612641

About 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole

2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 126612641) has the molecular formula C85H55N5 and a molecular weight of 1146.41 g/mol. Its IUPAC name is 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
• PubChem CID: 126612641
• Molecular Formula: C85H55N5
• Molecular Weight: 1146.41 g/mol
• Exact Mass: 1145.45
• IUPAC Name: 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
• SMILES: CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc(-c8ccc(-c9ccccc9)c9c8-c8ccc(-c%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10)c%10cccc-9c8%10)c7)c6)n5)cc1c4c23
• InChI: InChI=1S/C85H55N5/c1-85(2)72-50-63(52-20-7-3-8-21-52)48-60-40-41-61-49-64(51-73(85)77(61)76(60)72)83-88-81(55-24-11-5-12-25-55)87-82(89-83)62-29-18-27-58(47-62)57-26-17-28-59(46-57)68-44-43-67(53-22-9-4-10-23-53)79-70-33-19-32-69-66(42-45-71(78(69)70)80(68)79)54-36-38-56(39-37-54)84-86-74-34-15-16-35-75(74)90(84)65-30-13-6-14-31-65/h3-51H,1-2H3
• InChIKey: ZFFCRSBGCGYRTF-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.41
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole (CID 126612641) is 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole is CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc(-c8ccc(-c9ccccc9)c9c8-c8ccc(-c%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10)c%10cccc-9c8%10)c7)c6)n5)cc1c4c23.

What is the InChIKey of 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?

The InChIKey is ZFFCRSBGCGYRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H55N5/c1-85(2)72-50-63(52-20-7-3-8-21-52)48-60-40-41-61-49-64(51-73(85)77(61)76(60)72)83-88-81(55-24-11-5-12-25-55)87-82(89-83)62-29-18-27-58(47-62)57-26-17-28-59(46-57)68-44-43-67(53-22-9-4-10-23-53)79-70-33-19-32-69-66(42-45-71(78(69)70)80(68)79)54-36-38-56(39-37-54)84-86-74-34-15-16-35-75(74)90(84)65-30-13-6-14-31-65/h3-51H,1-2H3.

What are the key properties of 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?

2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 1146.41 g/mol, XLogP of 21.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 126612641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).