2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid

C76H60BClF6N4O2 — CID 165105681

About 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid

2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid (PubChem CID 165105681) has the molecular formula C76H60BClF6N4O2 and a molecular weight of 1221.60 g/mol. Its IUPAC name is 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid.

Molecular Properties

• Compound Name: 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid
• PubChem CID: 165105681
• Molecular Formula: C76H60BClF6N4O2
• Molecular Weight: 1221.60 g/mol
• Exact Mass: 1220.44
• IUPAC Name: 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(-c2cc(Cl)c(C(F)(F)F)cn2)cc2ccccc12.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C38H29F3N2.C20H17ClF3N.C18H14BNO2/c1-37(2,3)32-21-26(20-25-10-4-5-11-28(25)32)34-22-31(33(23-42-34)38(39,40)41)24-16-18-27(19-17-24)43-35-14-8-6-12-29(35)30-13-7-9-15-36(30)43;1-19(2,3)15-9-13(8-12-6-4-5-7-14(12)15)18-10-17(21)16(11-25-18)20(22,23)24;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h4-23H,1-3H3;4-11H,1-3H3;1-12,21-22H
• InChIKey: ZBTIDDGOAJDJOV-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 76.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.60
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid?

The IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid (CID 165105681) is 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid.

What is the SMILES notation for 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid?

The canonical SMILES for 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid is CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(-c2cc(Cl)c(C(F)(F)F)cn2)cc2ccccc12.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid?

The InChIKey is ZBTIDDGOAJDJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29F3N2.C20H17ClF3N.C18H14BNO2/c1-37(2,3)32-21-26(20-25-10-4-5-11-28(25)32)34-22-31(33(23-42-34)38(39,40)41)24-16-18-27(19-17-24)43-35-14-8-6-12-29(35)30-13-7-9-15-36(30)43;1-19(2,3)15-9-13(8-12-6-4-5-7-14(12)15)18-10-17(21)16(11-25-18)20(22,23)24;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h4-23H,1-3H3;4-11H,1-3H3;1-12,21-22H.

What are the key properties of 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid?

2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid has a molecular weight of 1221.60 g/mol, XLogP of 20.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid is sourced from PubChem (CID 165105681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).