[3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane

C48H69Bi3O6 — CID 172704484

IUPAC[3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane
SMILESC1=CC(O[Bi](OC2C=CCCCC2)c2cc([Bi](OC3C=CCCCC3)OC3C=CCCCC3)cc([Bi](OC3C=CCCCC3)OC3C=CCCCC3)c2)CCCC1
InChIInChI=1S/6C7H11O.C6H3.3Bi/c6*8-7-5-3-1-2-4-6-7;1-2-4-6-5-3-1;;;/h6*3,5,7H,1-2,4,6H2;1,4-5H;;;/q6*-1;;3*+2
InChIKeyDKBCVZGYAFUSDG-UHFFFAOYSA-N
MW1369.01 g/mol
LogP9.86
Rot. Bonds15

About [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane

[3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane (PubChem CID 172704484) has the molecular formula C48H69Bi3O6 and a molecular weight of 1369.01 g/mol. Its IUPAC name is [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane.

Molecular Properties

Compound Name[3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane
PubChem CID172704484
Molecular FormulaC48H69Bi3O6
Molecular Weight1369.01 g/mol
Exact Mass1368.45
IUPAC Name[3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane
SMILESC1=CC(O[Bi](OC2C=CCCCC2)c2cc([Bi](OC3C=CCCCC3)OC3C=CCCCC3)cc([Bi](OC3C=CCCCC3)OC3C=CCCCC3)c2)CCCC1
InChIInChI=1S/6C7H11O.C6H3.3Bi/c6*8-7-5-3-1-2-4-6-7;1-2-4-6-5-3-1;;;/h6*3,5,7H,1-2,4,6H2;1,4-5H;;;/q6*-1;;3*+2
InChIKeyDKBCVZGYAFUSDG-UHFFFAOYSA-N
XLogP9.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.01
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 10397221
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CID 12858459
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
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cyclohex-2-en-1-yl hypoiodite
CID 154559496
3-ethenoxycyclohexene
CID 12734632
3-phenylmethoxycycloheptene
CID 12512694
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
3-(2-ethenyl-4-fluorophenoxy)cycloheptene
CID 15274154
2-[(2Z)-cyclooct-2-en-1-yl]oxyethanol
CID 130297683
4-cyclohex-2-en-1-yloxyaniline
CID 112693108

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane?
The IUPAC name of [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane (CID 172704484) is [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane.
What is the SMILES notation for [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane?
The canonical SMILES for [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane is C1=CC(O[Bi](OC2C=CCCCC2)c2cc([Bi](OC3C=CCCCC3)OC3C=CCCCC3)cc([Bi](OC3C=CCCCC3)OC3C=CCCCC3)c2)CCCC1.
What is the InChIKey of [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane?
The InChIKey is DKBCVZGYAFUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H11O.C6H3.3Bi/c6*8-7-5-3-1-2-4-6-7;1-2-4-6-5-3-1;;;/h6*3,5,7H,1-2,4,6H2;1,4-5H;;;/q6*-1;;3*+2.
What are the key properties of [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane?
[3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane has a molecular weight of 1369.01 g/mol, XLogP of 9.86, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[di(cyclohept-2-en-1-yloxy)bismuthanyl]phenyl]-di(cyclohept-2-en-1-yloxy)bismuthane is sourced from PubChem (CID 172704484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).