12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole

C48H30N2S — CID 171414705

IUPAC12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c45)c3)c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-16-11-17-35(29-34)49-43-22-8-5-20-40(43)47-44(49)26-25-39-37-18-4-7-21-42(37)50(48(39)47)36-24-27-46-41(30-36)38-19-6-9-23-45(38)51-46/h1-30H
InChIKeyUCFJYSZVNYXODC-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole

12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 171414705) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID171414705
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c45)c3)c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-16-11-17-35(29-34)49-43-22-8-5-20-40(43)47-44(49)26-25-39-37-18-4-7-21-42(37)50(48(39)47)36-24-27-46-41(30-36)38-19-6-9-23-45(38)51-46/h1-30H
InChIKeyUCFJYSZVNYXODC-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
CID 118041194
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746

Frequently Asked Questions

What is the IUPAC name of 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole (CID 171414705) is 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c45)c3)c2)cc1.
What is the InChIKey of 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is UCFJYSZVNYXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-16-11-17-35(29-34)49-43-22-8-5-20-40(43)47-44(49)26-25-39-37-18-4-7-21-42(37)50(48(39)47)36-24-27-46-41(30-36)38-19-6-9-23-45(38)51-46/h1-30H.
What are the key properties of 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 171414705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).