2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine

C108H90BClN6O2 — CID 159359482

About 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine

2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine (PubChem CID 159359482) has the molecular formula C108H90BClN6O2 and a molecular weight of 1550.21 g/mol. Its IUPAC name is 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 159359482
• Molecular Formula: C108H90BClN6O2
• Molecular Weight: 1550.21 g/mol
• Exact Mass: 1548.69
• IUPAC Name: 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(B4OC(C)(C)C(C)(C)O4)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C51H39N3.C42H41BO2.C15H10ClN3/c1-50(2)43-21-13-11-19-39(43)41-25-23-34(30-45(41)50)36-27-37(35-24-26-42-40-20-12-14-22-44(40)51(3,4)46(42)31-35)29-38(28-36)49-53-47(32-15-7-5-8-16-32)52-48(54-49)33-17-9-6-10-18-33;1-39(2)35-15-11-9-13-31(35)33-19-17-26(24-37(33)39)28-21-29(23-30(22-28)43-44-41(5,6)42(7,8)45-43)27-18-20-34-32-14-10-12-16-36(32)40(3,4)38(34)25-27;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h5-31H,1-4H3;9-25H,1-8H3;1-10H
• InChIKey: LIIUMHYEMXAAAT-UHFFFAOYSA-N
• XLogP: 26.61
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1550.21
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine (CID 159359482) is 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(B4OC(C)(C)C(C)(C)O4)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?

The InChIKey is LIIUMHYEMXAAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3.C42H41BO2.C15H10ClN3/c1-50(2)43-21-13-11-19-39(43)41-25-23-34(30-45(41)50)36-27-37(35-24-26-42-40-20-12-14-22-44(40)51(3,4)46(42)31-35)29-38(28-36)49-53-47(32-15-7-5-8-16-32)52-48(54-49)33-17-9-6-10-18-33;1-39(2)35-15-11-9-13-31(35)33-19-17-26(24-37(33)39)28-21-29(23-30(22-28)43-44-41(5,6)42(7,8)45-43)27-18-20-34-32-14-10-12-16-36(32)40(3,4)38(34)25-27;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h5-31H,1-4H3;9-25H,1-8H3;1-10H.

What are the key properties of 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine?

2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1550.21 g/mol, XLogP of 26.61, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159359482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).