COPOYTYPWGVWHZ-UHFFFAOYSA-N

Name: COPOYTYPWGVWHZ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅₁H₅₀F₂N₄ — CID 118857336

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)isoquinoline

SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4cnc(-c5ccc6c(c5)C(C)(C)C(F)(F)C6(C)C)c5ccccc45)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

InChIInChI=1S/C51H50F2N4/c1-47(2,3)36-24-19-33(20-25-36)45-55-44(56-46(57-45)34-21-26-37(27-22-34)48(4,5)6)32-17-15-31(16-18-32)40-30-54-43(39-14-12-11-13-38(39)40)35-23-28-41-42(29-35)50(9,10)51(52,53)49(41,7)8/h11-30H,1-10H3

InChIKeyCOPOYTYPWGVWHZ-UHFFFAOYSA-N

MW756.99 g/mol

LogP13.55

Rot. Bonds5

About COPOYTYPWGVWHZ-UHFFFAOYSA-N

COPOYTYPWGVWHZ-UHFFFAOYSA-N (PubChem CID 118857336) has the molecular formula C₅₁H₅₀F₂N₄ and a molecular weight of 756.99 g/mol. Its IUPAC name is 4-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)isoquinoline.

Molecular Properties

Compound Name	COPOYTYPWGVWHZ-UHFFFAOYSA-N
PubChem CID	118857336
Molecular Formula	C₅₁H₅₀F₂N₄
Molecular Weight	756.99 g/mol
Exact Mass	756.40
IUPAC Name	4-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)isoquinoline
SMILES	CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4cnc(-c5ccc6c(c5)C(C)(C)C(F)(F)C6(C)C)c5ccccc45)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChI	InChI=1S/C51H50F2N4/c1-47(2,3)36-24-19-33(20-25-36)45-55-44(56-46(57-45)34-21-26-37(27-22-34)48(4,5)6)32-17-15-31(16-18-32)40-30-54-43(39-14-12-11-13-38(39)40)35-23-28-41-42(29-35)50(9,10)51(52,53)49(41,7)8/h11-30H,1-10H3
InChIKey	COPOYTYPWGVWHZ-UHFFFAOYSA-N
XLogP	13.55
TPSA	51.56 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	57
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.99
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of COPOYTYPWGVWHZ-UHFFFAOYSA-N?

The IUPAC name of COPOYTYPWGVWHZ-UHFFFAOYSA-N (CID 118857336) is 4-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)isoquinoline.

What is the SMILES notation for COPOYTYPWGVWHZ-UHFFFAOYSA-N?

The canonical SMILES for COPOYTYPWGVWHZ-UHFFFAOYSA-N is CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4cnc(-c5ccc6c(c5)C(C)(C)C(F)(F)C6(C)C)c5ccccc45)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.

What is the InChIKey of COPOYTYPWGVWHZ-UHFFFAOYSA-N?

The InChIKey is COPOYTYPWGVWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50F2N4/c1-47(2,3)36-24-19-33(20-25-36)45-55-44(56-46(57-45)34-21-26-37(27-22-34)48(4,5)6)32-17-15-31(16-18-32)40-30-54-43(39-14-12-11-13-38(39)40)35-23-28-41-42(29-35)50(9,10)51(52,53)49(41,7)8/h11-30H,1-10H3.

What are the key properties of COPOYTYPWGVWHZ-UHFFFAOYSA-N?

COPOYTYPWGVWHZ-UHFFFAOYSA-N has a molecular weight of 756.99 g/mol, XLogP of 13.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for COPOYTYPWGVWHZ-UHFFFAOYSA-N is sourced from PubChem (CID 118857336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118857336 — identifiers, structure, computed properties (public domain)

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