3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole

C36H23NS2 — CID 144650069

IUPAC3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
SMILESC1=CC2Sc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3C2C=C1
InChIInChI=1S/C36H23NS2/c1-4-10-31-25(7-1)29-19-22(23-14-18-35-30(20-23)27-9-3-6-12-34(27)38-35)13-17-32(29)37(31)24-15-16-28-26-8-2-5-11-33(26)39-36(28)21-24/h1-21,27,34H
InChIKeySVQWUUAFVZSLBR-UHFFFAOYSA-N
MW533.72 g/mol
LogP10.50
Rot. Bonds2

About 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole

3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole (PubChem CID 144650069) has the molecular formula C36H23NS2 and a molecular weight of 533.72 g/mol. Its IUPAC name is 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole.

Molecular Properties

Compound Name3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
PubChem CID144650069
Molecular FormulaC36H23NS2
Molecular Weight533.72 g/mol
Exact Mass533.13
IUPAC Name3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
SMILESC1=CC2Sc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3C2C=C1
InChIInChI=1S/C36H23NS2/c1-4-10-31-25(7-1)29-19-22(23-14-18-35-30(20-23)27-9-3-6-12-34(27)38-35)13-17-32(29)37(31)24-15-16-28-26-8-2-5-11-33(26)39-36(28)21-24/h1-21,27,34H
InChIKeySVQWUUAFVZSLBR-UHFFFAOYSA-N
XLogP10.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
CID 153201304
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
CID 164832563
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 123711389
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
CID 144619443
CID 144619443
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
11-[3-[3-[4-(5a,9a-dihydrodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 166917497

Frequently Asked Questions

What is the IUPAC name of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole?
The IUPAC name of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole (CID 144650069) is 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole.
What is the SMILES notation for 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole?
The canonical SMILES for 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole is C1=CC2Sc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3C2C=C1.
What is the InChIKey of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole?
The InChIKey is SVQWUUAFVZSLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS2/c1-4-10-31-25(7-1)29-19-22(23-14-18-35-30(20-23)27-9-3-6-12-34(27)38-35)13-17-32(29)37(31)24-15-16-28-26-8-2-5-11-33(26)39-36(28)21-24/h1-21,27,34H.
What are the key properties of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole?
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole has a molecular weight of 533.72 g/mol, XLogP of 10.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole is sourced from PubChem (CID 144650069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).