5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole

C144H94N6S — CID 167565734

IUPAC5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)sc6ccccc67)c54)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H30N2S.2C48H32N2/c1-2-10-31(11-3-1)32-18-20-33(21-19-32)34-22-24-35(25-23-34)50-42-15-7-4-12-37(42)40-28-29-44-47(48(40)50)41-14-5-8-16-43(41)49(44)36-26-27-39-38-13-6-9-17-45(38)51-46(39)30-36;1-3-14-33(15-4-1)35-26-28-38(29-27-35)49-45-24-11-8-21-40(45)42-32-48-43(31-47(42)49)41-22-9-12-25-46(41)50(48)44-23-10-7-20-39(44)37-19-13-18-36(30-37)34-16-5-2-6-17-34;1-3-15-33(16-4-1)34-27-29-36(30-28-34)49-44-24-12-10-22-40(44)42-32-48-43(31-47(42)49)41-23-11-14-26-46(41)50(48)45-25-13-9-21-39(45)38-20-8-7-19-37(38)35-17-5-2-6-18-35/h1-30H;2*1-32H
InChIKeyFGGOEQPIEJXERU-UHFFFAOYSA-N
MW1940.45 g/mol
LogP39.35
Rot. Bonds14

About 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole

5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 167565734) has the molecular formula C144H94N6S and a molecular weight of 1940.45 g/mol. Its IUPAC name is 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
PubChem CID167565734
Molecular FormulaC144H94N6S
Molecular Weight1940.45 g/mol
Exact Mass1938.73
IUPAC Name5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)sc6ccccc67)c54)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H30N2S.2C48H32N2/c1-2-10-31(11-3-1)32-18-20-33(21-19-32)34-22-24-35(25-23-34)50-42-15-7-4-12-37(42)40-28-29-44-47(48(40)50)41-14-5-8-16-43(41)49(44)36-26-27-39-38-13-6-9-17-45(38)51-46(39)30-36;1-3-14-33(15-4-1)35-26-28-38(29-27-35)49-45-24-11-8-21-40(45)42-32-48-43(31-47(42)49)41-22-9-12-25-46(41)50(48)44-23-10-7-20-39(44)37-19-13-18-36(30-37)34-16-5-2-6-17-34;1-3-15-33(16-4-1)34-27-29-36(30-28-34)49-44-24-12-10-22-40(44)42-32-48-43(31-47(42)49)41-23-11-14-26-46(41)50(48)45-25-13-9-21-39(45)38-20-8-7-19-37(38)35-17-5-2-6-18-35/h1-30H;2*1-32H
InChIKeyFGGOEQPIEJXERU-UHFFFAOYSA-N
XLogP39.35
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms151
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001940.45
LogP ≤ 539.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole (CID 167565734) is 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c(c6)sc6ccccc67)c54)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is FGGOEQPIEJXERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S.2C48H32N2/c1-2-10-31(11-3-1)32-18-20-33(21-19-32)34-22-24-35(25-23-34)50-42-15-7-4-12-37(42)40-28-29-44-47(48(40)50)41-14-5-8-16-43(41)49(44)36-26-27-39-38-13-6-9-17-45(38)51-46(39)30-36;1-3-14-33(15-4-1)35-26-28-38(29-27-35)49-45-24-11-8-21-40(45)42-32-48-43(31-47(42)49)41-22-9-12-25-46(41)50(48)44-23-10-7-20-39(44)37-19-13-18-36(30-37)34-16-5-2-6-17-34;1-3-15-33(16-4-1)34-27-29-36(30-28-34)49-44-24-12-10-22-40(44)42-32-48-43(31-47(42)49)41-23-11-14-26-46(41)50(48)45-25-13-9-21-39(45)38-20-8-7-19-37(38)35-17-5-2-6-18-35/h1-30H;2*1-32H.
What are the key properties of 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 1940.45 g/mol, XLogP of 39.35, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-3-yl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole;5-(4-phenylphenyl)-11-[2-(2-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 167565734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).