7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene

C38H30N2O2S — CID 59793428

IUPAC7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene
SMILESCC12CCC(c3nc4c(C5=CC6c7ccccc7OC6C=C5)sc(-c5ccc6oc7ccccc7c6c5)c4nc31)C2(C)C
InChIInChI=1S/C38H30N2O2S/c1-37(2)26-16-17-38(37,3)36-31(26)39-32-33(40-36)35(21-13-15-30-25(19-21)23-9-5-7-11-28(23)42-30)43-34(32)20-12-14-29-24(18-20)22-8-4-6-10-27(22)41-29/h4-15,18-19,24,26,29H,16-17H2,1-3H3
InChIKeyLZLARDVYXTYYFA-UHFFFAOYSA-N
MW578.74 g/mol
LogP9.93
Rot. Bonds2

About 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene

7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene (PubChem CID 59793428) has the molecular formula C38H30N2O2S and a molecular weight of 578.74 g/mol. Its IUPAC name is 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene.

Molecular Properties

Compound Name7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene
PubChem CID59793428
Molecular FormulaC38H30N2O2S
Molecular Weight578.74 g/mol
Exact Mass578.20
IUPAC Name7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene
SMILESCC12CCC(c3nc4c(C5=CC6c7ccccc7OC6C=C5)sc(-c5ccc6oc7ccccc7c6c5)c4nc31)C2(C)C
InChIInChI=1S/C38H30N2O2S/c1-37(2)26-16-17-38(37,3)36-31(26)39-32-33(40-36)35(21-13-15-30-25(19-21)23-9-5-7-11-28(23)42-30)43-34(32)20-12-14-29-24(18-20)22-8-4-6-10-27(22)41-29/h4-15,18-19,24,26,29H,16-17H2,1-3H3
InChIKeyLZLARDVYXTYYFA-UHFFFAOYSA-N
XLogP9.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene?
The IUPAC name of 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene (CID 59793428) is 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene.
What is the SMILES notation for 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene?
The canonical SMILES for 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene is CC12CCC(c3nc4c(C5=CC6c7ccccc7OC6C=C5)sc(-c5ccc6oc7ccccc7c6c5)c4nc31)C2(C)C.
What is the InChIKey of 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene?
The InChIKey is LZLARDVYXTYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O2S/c1-37(2)26-16-17-38(37,3)36-31(26)39-32-33(40-36)35(21-13-15-30-25(19-21)23-9-5-7-11-28(23)42-30)43-34(32)20-12-14-29-24(18-20)22-8-4-6-10-27(22)41-29/h4-15,18-19,24,26,29H,16-17H2,1-3H3.
What are the key properties of 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene?
7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene has a molecular weight of 578.74 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4a,9b-dihydrodibenzofuran-2-yl)-5-dibenzofuran-2-yl-1,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene is sourced from PubChem (CID 59793428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).