12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole

C48H28N2OS — CID 170277263

IUPAC12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5c4oc4ccc(-c6ccc7sc8ccccc8c7c6)cc45)c23)cc1
InChIInChI=1S/C48H28N2OS/c1-2-11-31(12-3-1)49-40-18-8-5-15-36(40)46-41(49)24-23-34-32-13-4-7-17-39(32)50(47(34)46)42-19-10-16-35-37-27-29(21-25-43(37)51-48(35)42)30-22-26-45-38(28-30)33-14-6-9-20-44(33)52-45/h1-28H
InChIKeyJDBYYZFXRALVDQ-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole

12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 170277263) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID170277263
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5c4oc4ccc(-c6ccc7sc8ccccc8c7c6)cc45)c23)cc1
InChIInChI=1S/C48H28N2OS/c1-2-11-31(12-3-1)49-40-18-8-5-15-36(40)46-41(49)24-23-34-32-13-4-7-17-39(32)50(47(34)46)42-19-10-16-35-37-27-29(21-25-43(37)51-48(35)42)30-22-26-45-38(28-30)33-14-6-9-20-44(33)52-45/h1-28H
InChIKeyJDBYYZFXRALVDQ-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485
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
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
6-(3-dibenzothiophen-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604352
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
3-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenylcarbazole;3-(8-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]carbazole;3-[3,5-di(dibenzofuran-2-yl)phenyl]-9-phenylcarbazole;molecular fluorine;3-phenyl-9-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-4-yl]carbazole;hydrofluoride
CID 158528143
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole
CID 163849654
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413

Frequently Asked Questions

What is the IUPAC name of 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole (CID 170277263) is 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5c4oc4ccc(-c6ccc7sc8ccccc8c7c6)cc45)c23)cc1.
What is the InChIKey of 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is JDBYYZFXRALVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-2-11-31(12-3-1)49-40-18-8-5-15-36(40)46-41(49)24-23-34-32-13-4-7-17-39(32)50(47(34)46)42-19-10-16-35-37-27-29(21-25-43(37)51-48(35)42)30-22-26-45-38(28-30)33-14-6-9-20-44(33)52-45/h1-28H.
What are the key properties of 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole?
12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(8-dibenzothiophen-2-yldibenzofuran-4-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 170277263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).