bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)

C64H60N2O10W — CID 169008032

IUPACbis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)
SMILESC=CCOc1ccc(C2(c3ccc(OCC=C)c(OCC=C)c3)C(=O)[N-]c3ccccc32)cc1OCC=C.C=CCOc1ccc(C2(c3ccc(OCC=C)c(OCC=C)c3)C(=O)[N-]c3ccccc32)cc1OCC=C.[W+2]
InChIInChI=1S/2C32H31NO5.W/c2*1-5-17-35-27-15-13-23(21-29(27)37-19-7-3)32(25-11-9-10-12-26(25)33-31(32)34)24-14-16-28(36-18-6-2)30(22-24)38-20-8-4;/h2*5-16,21-22H,1-4,17-20H2,(H,33,34);/q;;+2/p-2
InChIKeyRSBUAPWOPFUBAT-UHFFFAOYSA-L
MW1201.03 g/mol
LogP13.65
Rot. Bonds28

About bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)

bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+) (PubChem CID 169008032) has the molecular formula C64H60N2O10W and a molecular weight of 1201.03 g/mol. Its IUPAC name is bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+).

Molecular Properties

Compound Namebis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)
PubChem CID169008032
Molecular FormulaC64H60N2O10W
Molecular Weight1201.03 g/mol
Exact Mass1200.38
IUPAC Namebis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)
SMILESC=CCOc1ccc(C2(c3ccc(OCC=C)c(OCC=C)c3)C(=O)[N-]c3ccccc32)cc1OCC=C.C=CCOc1ccc(C2(c3ccc(OCC=C)c(OCC=C)c3)C(=O)[N-]c3ccccc32)cc1OCC=C.[W+2]
InChIInChI=1S/2C32H31NO5.W/c2*1-5-17-35-27-15-13-23(21-29(27)37-19-7-3)32(25-11-9-10-12-26(25)33-31(32)34)24-14-16-28(36-18-6-2)30(22-24)38-20-8-4;/h2*5-16,21-22H,1-4,17-20H2,(H,33,34);/q;;+2/p-2
InChIKeyRSBUAPWOPFUBAT-UHFFFAOYSA-L
XLogP13.65
TPSA136.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.03
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis(3,3-bis(4-prop-2-enoxyphenyl)indol-1-id-2-one);tungsten(2+)
CID 169008055
3-(4-chlorophenyl)-3-[(3-hydroxy-4-methoxyphenyl)methoxy]-2-propylisoindol-1-one;3-(4-chlorophenyl)-3-[(4-methoxy-3-prop-2-enoxyphenyl)methoxy]-2-propylisoindol-1-one
CID 159967678
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 129265954
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40790488
(3Z)-3-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
CID 126122117
N-[4-[4-(N-[9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 146517121
5-[4-[9-[4-[1,3-dioxo-2-(4-prop-2-enoxyphenyl)isoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]-2-(4-prop-2-enoxyphenyl)isoindole-1,3-dione
CID 170198873
(2R)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 7450988
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
9-(3-methoxy-4-prop-2-enoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2921589

Frequently Asked Questions

What is the IUPAC name of bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)?
The IUPAC name of bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+) (CID 169008032) is bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+).
What is the SMILES notation for bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)?
The canonical SMILES for bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+) is C=CCOc1ccc(C2(c3ccc(OCC=C)c(OCC=C)c3)C(=O)[N-]c3ccccc32)cc1OCC=C.C=CCOc1ccc(C2(c3ccc(OCC=C)c(OCC=C)c3)C(=O)[N-]c3ccccc32)cc1OCC=C.[W+2].
What is the InChIKey of bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)?
The InChIKey is RSBUAPWOPFUBAT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C32H31NO5.W/c2*1-5-17-35-27-15-13-23(21-29(27)37-19-7-3)32(25-11-9-10-12-26(25)33-31(32)34)24-14-16-28(36-18-6-2)30(22-24)38-20-8-4;/h2*5-16,21-22H,1-4,17-20H2,(H,33,34);/q;;+2/p-2.
What are the key properties of bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+)?
bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+) has a molecular weight of 1201.03 g/mol, XLogP of 13.65, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-bis[3,4-bis(prop-2-enoxy)phenyl]indol-1-id-2-one);tungsten(2+) is sourced from PubChem (CID 169008032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).