6,9-dimethoxyphenanthro[9,10-b]thiophene

C18H14O2S — CID 89375674

IUPAC6,9-dimethoxyphenanthro[9,10-b]thiophene
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1c1sccc21
InChIInChI=1S/C18H14O2S/c1-19-11-3-5-13-15-7-8-21-18(15)14-6-4-12(20-2)10-17(14)16(13)9-11/h3-10H,1-2H3
InChIKeyCKWAOPOFBKAVJY-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.22
Rot. Bonds2

About 6,9-dimethoxyphenanthro[9,10-b]thiophene

6,9-dimethoxyphenanthro[9,10-b]thiophene (PubChem CID 89375674) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6,9-dimethoxyphenanthro[9,10-b]thiophene.

Molecular Properties

Compound Name6,9-dimethoxyphenanthro[9,10-b]thiophene
PubChem CID89375674
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name6,9-dimethoxyphenanthro[9,10-b]thiophene
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1c1sccc21
InChIInChI=1S/C18H14O2S/c1-19-11-3-5-13-15-7-8-21-18(15)14-6-4-12(20-2)10-17(14)16(13)9-11/h3-10H,1-2H3
InChIKeyCKWAOPOFBKAVJY-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 122606200
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
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8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 59171866
4-methoxy-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 58400818
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CID 58411039
5,12-dimethoxyrubicene
CID 10667865
4-iodo-7-methoxy-1-benzothiophen-5-amine
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7,14,26,33,45,52-hexamethoxy-58-methylpentadecacyclo[37.18.1.02,19.04,17.05,10.011,16.020,58.021,38.023,36.024,29.030,35.040,57.042,55.043,48.049,54]octapentaconta-2(19),3,5(10),6,8,11(16),12,14,17,21(38),22,24(29),25,27,30(35),31,33,36,40(57),41,43(48),44,46,49(54),50,52,55-heptacosaene
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CID 131033981
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CID 11095506

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxyphenanthro[9,10-b]thiophene?
The IUPAC name of 6,9-dimethoxyphenanthro[9,10-b]thiophene (CID 89375674) is 6,9-dimethoxyphenanthro[9,10-b]thiophene.
What is the SMILES notation for 6,9-dimethoxyphenanthro[9,10-b]thiophene?
The canonical SMILES for 6,9-dimethoxyphenanthro[9,10-b]thiophene is COc1ccc2c(c1)c1cc(OC)ccc1c1sccc21.
What is the InChIKey of 6,9-dimethoxyphenanthro[9,10-b]thiophene?
The InChIKey is CKWAOPOFBKAVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c1-19-11-3-5-13-15-7-8-21-18(15)14-6-4-12(20-2)10-17(14)16(13)9-11/h3-10H,1-2H3.
What are the key properties of 6,9-dimethoxyphenanthro[9,10-b]thiophene?
6,9-dimethoxyphenanthro[9,10-b]thiophene has a molecular weight of 294.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxyphenanthro[9,10-b]thiophene is sourced from PubChem (CID 89375674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).