5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole

C36H24N2S — CID 123711389

IUPAC5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
SMILESC1=CC2Sc3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3C2C=C1
InChIInChI=1S/C36H24N2S/c1-2-10-23(11-3-1)38-30-15-7-4-12-25(30)27-19-20-32-35(36(27)38)28-14-5-8-16-31(28)37(32)24-18-21-34-29(22-24)26-13-6-9-17-33(26)39-34/h1-22,26,33H
InChIKeyUFIHXKRICVAIDD-UHFFFAOYSA-N
MW516.67 g/mol
LogP9.56
Rot. Bonds2

About 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole

5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 123711389) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
PubChem CID123711389
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
SMILESC1=CC2Sc3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3C2C=C1
InChIInChI=1S/C36H24N2S/c1-2-10-23(11-3-1)38-30-15-7-4-12-25(30)27-19-20-32-35(36(27)38)28-14-5-8-16-31(28)37(32)24-18-21-34-29(22-24)26-13-6-9-17-33(26)39-34/h1-22,26,33H
InChIKeyUFIHXKRICVAIDD-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

9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
CID 153201304
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
CID 144650069
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363
11-[3-[3-[4-(5a,9a-dihydrodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 166917497
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
12-phenyl-5-[3-[6-[6-[6-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]indolo[3,2-c]carbazole
CID 170208043
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole (CID 123711389) is 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole is C1=CC2Sc3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3C2C=C1.
What is the InChIKey of 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is UFIHXKRICVAIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-2-10-23(11-3-1)38-30-15-7-4-12-25(30)27-19-20-32-35(36(27)38)28-14-5-8-16-31(28)37(32)24-18-21-34-29(22-24)26-13-6-9-17-33(26)39-34/h1-22,26,33H.
What are the key properties of 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole?
5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole 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 5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 123711389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).