[3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene

C37H34S — CID 129276316

IUPAC[3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene
SMILESC=C(CC(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H34S/c1-30(31-17-7-2-8-18-31)29-33(32-19-9-3-10-20-32)27-28-38-37(34-21-11-4-12-22-34,35-23-13-5-14-24-35)36-25-15-6-16-26-36/h2-26,33H,1,27-29H2
InChIKeyRUEUYJZFSBVUAL-UHFFFAOYSA-N
MW510.75 g/mol
LogP9.99
Rot. Bonds11

About [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene

[3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene (PubChem CID 129276316) has the molecular formula C37H34S and a molecular weight of 510.75 g/mol. Its IUPAC name is [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene
PubChem CID129276316
Molecular FormulaC37H34S
Molecular Weight510.75 g/mol
Exact Mass510.24
IUPAC Name[3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene
SMILESC=C(CC(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H34S/c1-30(31-17-7-2-8-18-31)29-33(32-19-9-3-10-20-32)27-28-38-37(34-21-11-4-12-22-34,35-23-13-5-14-24-35)36-25-15-6-16-26-36/h2-26,33H,1,27-29H2
InChIKeyRUEUYJZFSBVUAL-UHFFFAOYSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.75
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
5-(4-phenylhept-1-en-2-yl)-2,3-dihydro-1H-indene
CID 143626102
2-tritylsulfanylethanethiol
CID 59035458
1,13-bis(tritylsulfanyl)tridecan-7-amine
CID 138687409
2-hydroxy-6-tritylsulfanylhexanoic acid
CID 156778472
1-amino-3-phenylbut-3-ene-1-thiol
CID 155217883
1-hydroxy-6-tritylsulfanylhexan-2-one
CID 59179865
1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
CID 102223669
(1-chloro-5-methylhex-5-en-3-yl)benzene
CID 91565278
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
5-naphthalen-2-yl-3-phenylhex-5-enoic acid
CID 89077119
1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
CID 10728924

Frequently Asked Questions

What is the IUPAC name of [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene?
The IUPAC name of [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene (CID 129276316) is [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene.
What is the SMILES notation for [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene?
The canonical SMILES for [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene is C=C(CC(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene?
The InChIKey is RUEUYJZFSBVUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34S/c1-30(31-17-7-2-8-18-31)29-33(32-19-9-3-10-20-32)27-28-38-37(34-21-11-4-12-22-34,35-23-13-5-14-24-35)36-25-15-6-16-26-36/h2-26,33H,1,27-29H2.
What are the key properties of [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene?
[3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene has a molecular weight of 510.75 g/mol, XLogP of 9.99, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diphenylhex-5-enylsulfanyl(diphenyl)methyl]benzene is sourced from PubChem (CID 129276316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).