2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine

C41H42FN3 — CID 171749143

IUPAC2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(F)cc(-c4nc(-c5ccccc5)nc(-c5ccc(C6CCCCC6)cc5)n4)c3)ccc21
InChIInChI=1S/C41H42FN3/c1-40(2)21-22-41(3,4)36-26-31(19-20-35(36)40)32-23-33(25-34(42)24-32)39-44-37(29-13-9-6-10-14-29)43-38(45-39)30-17-15-28(16-18-30)27-11-7-5-8-12-27/h6,9-10,13-20,23-27H,5,7-8,11-12,21-22H2,1-4H3
InChIKeyBGBVXKBJHUAYNO-UHFFFAOYSA-N
MW595.81 g/mol
LogP11.08
Rot. Bonds5

About 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 171749143) has the molecular formula C41H42FN3 and a molecular weight of 595.81 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID171749143
Molecular FormulaC41H42FN3
Molecular Weight595.81 g/mol
Exact Mass595.34
IUPAC Name2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(F)cc(-c4nc(-c5ccccc5)nc(-c5ccc(C6CCCCC6)cc5)n4)c3)ccc21
InChIInChI=1S/C41H42FN3/c1-40(2)21-22-41(3,4)36-26-31(19-20-35(36)40)32-23-33(25-34(42)24-32)39-44-37(29-13-9-6-10-14-29)43-38(45-39)30-17-15-28(16-18-30)27-11-7-5-8-12-27/h6,9-10,13-20,23-27H,5,7-8,11-12,21-22H2,1-4H3
InChIKeyBGBVXKBJHUAYNO-UHFFFAOYSA-N
XLogP11.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.81
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165375539
2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 168843560
2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 171748924
2-(3,5-ditert-butylphenyl)-4-[3-isocyano-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171749174
2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 168844841
2-phenanthren-9-yl-4-(4-phenylphenyl)-6-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171748971
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 171749098
4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
CID 140825834
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244255
N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 174329477

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 171749143) is 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)CCC(C)(C)c2cc(-c3cc(F)cc(-c4nc(-c5ccccc5)nc(-c5ccc(C6CCCCC6)cc5)n4)c3)ccc21.
What is the InChIKey of 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is BGBVXKBJHUAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42FN3/c1-40(2)21-22-41(3,4)36-26-31(19-20-35(36)40)32-23-33(25-34(42)24-32)39-44-37(29-13-9-6-10-14-29)43-38(45-39)30-17-15-28(16-18-30)27-11-7-5-8-12-27/h6,9-10,13-20,23-27H,5,7-8,11-12,21-22H2,1-4H3.
What are the key properties of 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 595.81 g/mol, XLogP of 11.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171749143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).