9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole

C27H23NO4S2 — CID 67989631

IUPAC9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole
SMILESCc1sc(-c2ccc3c(c2)c2cc(-c4sc(C)c5c4OCCO5)ccc2n3C)c2c1OCCO2
InChIInChI=1S/C27H23NO4S2/c1-14-22-24(31-10-8-29-22)26(33-14)16-4-6-20-18(12-16)19-13-17(5-7-21(19)28(20)3)27-25-23(15(2)34-27)30-9-11-32-25/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMVOVUQGYGSVBID-UHFFFAOYSA-N
MW489.62 g/mol
LogP6.95
Rot. Bonds2

About 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole

9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole (PubChem CID 67989631) has the molecular formula C27H23NO4S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole.

Molecular Properties

Compound Name9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole
PubChem CID67989631
Molecular FormulaC27H23NO4S2
Molecular Weight489.62 g/mol
Exact Mass489.11
IUPAC Name9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole
SMILESCc1sc(-c2ccc3c(c2)c2cc(-c4sc(C)c5c4OCCO5)ccc2n3C)c2c1OCCO2
InChIInChI=1S/C27H23NO4S2/c1-14-22-24(31-10-8-29-22)26(33-14)16-4-6-20-18(12-16)19-13-17(5-7-21(19)28(20)3)27-25-23(15(2)34-27)30-9-11-32-25/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMVOVUQGYGSVBID-UHFFFAOYSA-N
XLogP6.95
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole?
The IUPAC name of 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole (CID 67989631) is 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole.
What is the SMILES notation for 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole?
The canonical SMILES for 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole is Cc1sc(-c2ccc3c(c2)c2cc(-c4sc(C)c5c4OCCO5)ccc2n3C)c2c1OCCO2.
What is the InChIKey of 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole?
The InChIKey is MVOVUQGYGSVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4S2/c1-14-22-24(31-10-8-29-22)26(33-14)16-4-6-20-18(12-16)19-13-17(5-7-21(19)28(20)3)27-25-23(15(2)34-27)30-9-11-32-25/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole?
9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole has a molecular weight of 489.62 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,6-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)carbazole is sourced from PubChem (CID 67989631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).