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

C36H24N2S — CID 153201304

IUPAC9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
SMILESC1=CC2Sc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3C2C=C1
InChIInChI=1S/C36H24N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36/h1-22,28,35H
InChIKeyWJYXOQDDUFMSAY-UHFFFAOYSA-N
MW516.67 g/mol
LogP9.56
Rot. Bonds2

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

9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole (PubChem CID 153201304) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
PubChem CID153201304
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
SMILESC1=CC2Sc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3C2C=C1
InChIInChI=1S/C36H24N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36/h1-22,28,35H
InChIKeyWJYXOQDDUFMSAY-UHFFFAOYSA-N
XLogP9.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 123711389
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
CID 144650069
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
CID 164832563
10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole
CID 118345157
11-[3-[3-[4-(5a,9a-dihydrodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 166917497
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 67121569
N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
CID 170177943
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
[3-(4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-naphthalen-2-yl-λ3-iodane
CID 163637468
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428

Frequently Asked Questions

What is the IUPAC name of 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole (CID 153201304) is 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole is C1=CC2Sc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3C2C=C1.
What is the InChIKey of 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole?
The InChIKey is WJYXOQDDUFMSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36/h1-22,28,35H.
What are the key properties of 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole?
9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole has a molecular weight of 516.67 g/mol, XLogP of 9.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 153201304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).