(2,3-diphenylphenyl) 9-phenylnonyl carbonate

C34H36O3 — CID 151009525

IUPAC(2,3-diphenylphenyl) 9-phenylnonyl carbonate
SMILESO=C(OCCCCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H36O3/c35-34(36-27-16-5-3-1-2-4-9-18-28-19-10-6-11-20-28)37-32-26-17-25-31(29-21-12-7-13-22-29)33(32)30-23-14-8-15-24-30/h6-8,10-15,17,19-26H,1-5,9,16,18,27H2
InChIKeyLVUJBPCAACSYGS-UHFFFAOYSA-N
MW492.66 g/mol
LogP9.51
Rot. Bonds13

About (2,3-diphenylphenyl) 9-phenylnonyl carbonate

(2,3-diphenylphenyl) 9-phenylnonyl carbonate (PubChem CID 151009525) has the molecular formula C34H36O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is (2,3-diphenylphenyl) 9-phenylnonyl carbonate.

Molecular Properties

Compound Name(2,3-diphenylphenyl) 9-phenylnonyl carbonate
PubChem CID151009525
Molecular FormulaC34H36O3
Molecular Weight492.66 g/mol
Exact Mass492.27
IUPAC Name(2,3-diphenylphenyl) 9-phenylnonyl carbonate
SMILESO=C(OCCCCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H36O3/c35-34(36-27-16-5-3-1-2-4-9-18-28-19-10-6-11-20-28)37-32-26-17-25-31(29-21-12-7-13-22-29)33(32)30-23-14-8-15-24-30/h6-8,10-15,17,19-26H,1-5,9,16,18,27H2
InChIKeyLVUJBPCAACSYGS-UHFFFAOYSA-N
XLogP9.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethylphenyl) 7-phenylheptyl carbonate
CID 67251149
hexyl (2-phenylphenyl) carbonate
CID 67180373
7-phenylheptyl (2-propylphenyl) carbonate
CID 67251381
4-phenylbutyl (2-propylphenyl) carbonate
CID 67258124
6-phenylhexyl (2,3,4-trimethylphenyl) carbonate
CID 67258477
hexyl (2-phenylphenyl) carbonate;plutonium;dicarbonate
CID 174935978
6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
CID 171768489
(2,3-dipentylphenyl) 4-phenylbutyl carbonate
CID 67260533
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
heptyl 7-phenylheptyl carbonate
CID 67251382
ethyl 6-phenylhexyl carbonate
CID 67250774
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylphenyl) 9-phenylnonyl carbonate?
The IUPAC name of (2,3-diphenylphenyl) 9-phenylnonyl carbonate (CID 151009525) is (2,3-diphenylphenyl) 9-phenylnonyl carbonate.
What is the SMILES notation for (2,3-diphenylphenyl) 9-phenylnonyl carbonate?
The canonical SMILES for (2,3-diphenylphenyl) 9-phenylnonyl carbonate is O=C(OCCCCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2,3-diphenylphenyl) 9-phenylnonyl carbonate?
The InChIKey is LVUJBPCAACSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O3/c35-34(36-27-16-5-3-1-2-4-9-18-28-19-10-6-11-20-28)37-32-26-17-25-31(29-21-12-7-13-22-29)33(32)30-23-14-8-15-24-30/h6-8,10-15,17,19-26H,1-5,9,16,18,27H2.
What are the key properties of (2,3-diphenylphenyl) 9-phenylnonyl carbonate?
(2,3-diphenylphenyl) 9-phenylnonyl carbonate has a molecular weight of 492.66 g/mol, XLogP of 9.51, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylphenyl) 9-phenylnonyl carbonate is sourced from PubChem (CID 151009525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).