benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C41H46F3N2OP — CID 143686410

IUPACbenzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCCCCCP(c1ccccc1C1=NC(c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1.c1ccccc1
InChIInChI=1S/C35H40F3N2OP.C6H6/c1-2-3-4-13-24-42(29-16-9-6-10-17-29)32-19-12-11-18-30(32)33-39-31(26-14-7-5-8-15-26)25-40(33)34(41)27-20-22-28(23-21-27)35(36,37)38;1-2-4-6-5-3-1/h5,7-8,11-12,14-15,18-23,29,31H,2-4,6,9-10,13,16-17,24-25H2,1H3;1-6H
InChIKeySBDLHTKZAJGRMW-UHFFFAOYSA-N
MW670.80 g/mol
LogP11.06
Rot. Bonds10

About benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone

benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 143686410) has the molecular formula C41H46F3N2OP and a molecular weight of 670.80 g/mol. Its IUPAC name is benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namebenzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID143686410
Molecular FormulaC41H46F3N2OP
Molecular Weight670.80 g/mol
Exact Mass670.33
IUPAC Namebenzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCCCCCP(c1ccccc1C1=NC(c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1.c1ccccc1
InChIInChI=1S/C35H40F3N2OP.C6H6/c1-2-3-4-13-24-42(29-16-9-6-10-17-29)32-19-12-11-18-30(32)33-39-31(26-14-7-5-8-15-26)25-40(33)34(41)27-20-22-28(23-21-27)35(36,37)38;1-2-4-6-5-3-1/h5,7-8,11-12,14-15,18-23,29,31H,2-4,6,9-10,13,16-17,24-25H2,1H3;1-6H
InChIKeySBDLHTKZAJGRMW-UHFFFAOYSA-N
XLogP11.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 143686410) is benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone is CCCCCCP(c1ccccc1C1=NC(c2ccccc2)CN1C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is SBDLHTKZAJGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F3N2OP.C6H6/c1-2-3-4-13-24-42(29-16-9-6-10-17-29)32-19-12-11-18-30(32)33-39-31(26-14-7-5-8-15-26)25-40(33)34(41)27-20-22-28(23-21-27)35(36,37)38;1-2-4-6-5-3-1/h5,7-8,11-12,14-15,18-23,29,31H,2-4,6,9-10,13,16-17,24-25H2,1H3;1-6H.
What are the key properties of benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 670.80 g/mol, XLogP of 11.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[2-[2-[cyclohexyl(hexyl)phosphanyl]phenyl]-4-phenyl-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 143686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).