12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole

C44H30N2S — CID 118504650

IUPAC12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole
SMILESCCc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4c32)c1
InChIInChI=1S/C44H30N2S/c1-2-28-12-9-14-30(26-28)45-39-21-6-3-16-33(39)36-24-25-37-34-17-4-7-22-40(34)46(43(37)42(36)45)31-15-10-13-29(27-31)32-19-11-20-38-35-18-5-8-23-41(35)47-44(32)38/h3-27H,2H2,1H3
InChIKeyQMYWDHIOURBJDN-UHFFFAOYSA-N
MW618.81 g/mol
LogP12.48
Rot. Bonds4

About 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole

12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole (PubChem CID 118504650) has the molecular formula C44H30N2S and a molecular weight of 618.81 g/mol. Its IUPAC name is 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole
PubChem CID118504650
Molecular FormulaC44H30N2S
Molecular Weight618.81 g/mol
Exact Mass618.21
IUPAC Name12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole
SMILESCCc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4c32)c1
InChIInChI=1S/C44H30N2S/c1-2-28-12-9-14-30(26-28)45-39-21-6-3-16-33(39)36-24-25-37-34-17-4-7-22-40(34)46(43(37)42(36)45)31-15-10-13-29(27-31)32-19-11-20-38-35-18-5-8-23-41(35)47-44(32)38/h3-27H,2H2,1H3
InChIKeyQMYWDHIOURBJDN-UHFFFAOYSA-N
XLogP12.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.81
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165560
12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170284179
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281

Frequently Asked Questions

What is the IUPAC name of 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole (CID 118504650) is 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole is CCc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4c32)c1.
What is the InChIKey of 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole?
The InChIKey is QMYWDHIOURBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2S/c1-2-28-12-9-14-30(26-28)45-39-21-6-3-16-33(39)36-24-25-37-34-17-4-7-22-40(34)46(43(37)42(36)45)31-15-10-13-29(27-31)32-19-11-20-38-35-18-5-8-23-41(35)47-44(32)38/h3-27H,2H2,1H3.
What are the key properties of 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole?
12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole has a molecular weight of 618.81 g/mol, XLogP of 12.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 118504650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).