[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate

C44H34O6S — CID 139714070

IUPAC[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)Oc1ccc(CSCc2ccc(OC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C44H34O6S/c45-43(47-25-41-37-13-5-1-9-33(37)34-10-2-6-14-38(34)41)49-31-21-17-29(18-22-31)27-51-28-30-19-23-32(24-20-30)50-44(46)48-26-42-39-15-7-3-11-35(39)36-12-4-8-16-40(36)42/h1-24,41-42H,25-28H2
InChIKeyZNTNEYGKVAKSRN-UHFFFAOYSA-N
MW690.82 g/mol
LogP10.78
Rot. Bonds10

About [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate

[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate (PubChem CID 139714070) has the molecular formula C44H34O6S and a molecular weight of 690.82 g/mol. Its IUPAC name is [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Name[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate
PubChem CID139714070
Molecular FormulaC44H34O6S
Molecular Weight690.82 g/mol
Exact Mass690.21
IUPAC Name[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)Oc1ccc(CSCc2ccc(OC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C44H34O6S/c45-43(47-25-41-37-13-5-1-9-33(37)34-10-2-6-14-38(34)41)49-31-21-17-29(18-22-31)27-51-28-30-19-23-32(24-20-30)50-44(46)48-26-42-39-15-7-3-11-35(39)36-12-4-8-16-40(36)42/h1-24,41-42H,25-28H2
InChIKeyZNTNEYGKVAKSRN-UHFFFAOYSA-N
XLogP10.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.82
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate with MolForge

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Related Compounds

(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
CID 89246029
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate
CID 11494624
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
(2S)-3-(4-acetyloxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 71427525
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-amino-4-(4-nitrophenoxy)carbonyloxybut-2-enoate
CID 68523283

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate (CID 139714070) is [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate is O=C(OCC1c2ccccc2-c2ccccc21)Oc1ccc(CSCc2ccc(OC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is ZNTNEYGKVAKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O6S/c45-43(47-25-41-37-13-5-1-9-33(37)34-10-2-6-14-38(34)41)49-31-21-17-29(18-22-31)27-51-28-30-19-23-32(24-20-30)50-44(46)48-26-42-39-15-7-3-11-35(39)36-12-4-8-16-40(36)42/h1-24,41-42H,25-28H2.
What are the key properties of [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate?
[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 690.82 g/mol, XLogP of 10.78, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 139714070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).