bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol

C31H21BiNO3- — CID 158256354

IUPACbismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol
SMILESOc1ccc2ccc3c(c2c1)C(c1ccc2ccccc2c1)c1c(ccc2ccc(O)cc12)O3.[N-]=[BiH]
InChIInChI=1S/C31H20O3.Bi.N.H/c32-23-11-7-19-9-13-27-30(25(19)16-23)29(22-6-5-18-3-1-2-4-21(18)15-22)31-26-17-24(33)12-8-20(26)10-14-28(31)34-27;;;/h1-17,29,32-33H;;;/q;;-1;
InChIKeySJJRVATXHOROCL-UHFFFAOYSA-N
MW664.49 g/mol
LogP7.48
Rot. Bonds1

About bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol

bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol (PubChem CID 158256354) has the molecular formula C31H21BiNO3- and a molecular weight of 664.49 g/mol. Its IUPAC name is bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol.

Molecular Properties

Compound Namebismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol
PubChem CID158256354
Molecular FormulaC31H21BiNO3-
Molecular Weight664.49 g/mol
Exact Mass664.13
IUPAC Namebismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol
SMILESOc1ccc2ccc3c(c2c1)C(c1ccc2ccccc2c1)c1c(ccc2ccc(O)cc12)O3.[N-]=[BiH]
InChIInChI=1S/C31H20O3.Bi.N.H/c32-23-11-7-19-9-13-27-30(25(19)16-23)29(22-6-5-18-3-1-2-4-21(18)15-22)31-26-17-24(33)12-8-20(26)10-14-28(31)34-27;;;/h1-17,29,32-33H;;;/q;;-1;
InChIKeySJJRVATXHOROCL-UHFFFAOYSA-N
XLogP7.48
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.49
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol with MolForge

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Related Compounds

2-(4-hydroxyphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 145446897
2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol
CID 135216197
ethane;2-(4-methylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 165028803
12-(4-hydroxyphenyl)-12H-benzo[a]xanthene-3,10-diol
CID 129051407
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol
CID 101182402
ethyl (1S)-3-amino-1-(4-fluorophenyl)-9-hydroxy-1H-benzo[f]chromene-2-carboxylate
CID 1025841
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
naphthalen-2-ol
CID 71750931
2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol
CID 155216305
2-(4-dodecylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102173164

Frequently Asked Questions

What is the IUPAC name of bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol?
The IUPAC name of bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol (CID 158256354) is bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol.
What is the SMILES notation for bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol?
The canonical SMILES for bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol is Oc1ccc2ccc3c(c2c1)C(c1ccc2ccccc2c1)c1c(ccc2ccc(O)cc12)O3.[N-]=[BiH].
What is the InChIKey of bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol?
The InChIKey is SJJRVATXHOROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20O3.Bi.N.H/c32-23-11-7-19-9-13-27-30(25(19)16-23)29(22-6-5-18-3-1-2-4-21(18)15-22)31-26-17-24(33)12-8-20(26)10-14-28(31)34-27;;;/h1-17,29,32-33H;;;/q;;-1;.
What are the key properties of bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol?
bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol has a molecular weight of 664.49 g/mol, XLogP of 7.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol is sourced from PubChem (CID 158256354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).