[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane

C60H40N2S2 — CID 126591239

IUPAC[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane
SMILESc1ccc(-n2c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2S2/c1-5-18-42(19-6-1)61-56-37-36-47(64(44-20-7-2-8-21-44,45-22-9-3-10-23-45)46-24-11-4-12-25-46)38-52(56)54-40-57-53(39-58(54)61)49-26-13-15-30-55(49)62(57)43-34-32-41(33-35-43)48-28-17-29-51-50-27-14-16-31-59(50)63-60(48)51/h1-40H
InChIKeyMAYQCCUVVQSORN-UHFFFAOYSA-N
MW853.13 g/mol
LogP17.26
Rot. Bonds7

About [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane

[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane (PubChem CID 126591239) has the molecular formula C60H40N2S2 and a molecular weight of 853.13 g/mol. Its IUPAC name is [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane
PubChem CID126591239
Molecular FormulaC60H40N2S2
Molecular Weight853.13 g/mol
Exact Mass852.26
IUPAC Name[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane
SMILESc1ccc(-n2c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2S2/c1-5-18-42(19-6-1)61-56-37-36-47(64(44-20-7-2-8-21-44,45-22-9-3-10-23-45)46-24-11-4-12-25-46)38-52(56)54-40-57-53(39-58(54)61)49-26-13-15-30-55(49)62(57)43-34-32-41(33-35-43)48-28-17-29-51-50-27-14-16-31-59(50)63-60(48)51/h1-40H
InChIKeyMAYQCCUVVQSORN-UHFFFAOYSA-N
XLogP17.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.13
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane 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-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole
CID 126579960
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[8-[dibenzothiophen-4-yl(diphenyl)-λ4-sulfanyl]dibenzothiophen-2-yl]-diphenyl-λ4-sulfane
CID 130411696
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane?
The IUPAC name of [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane (CID 126591239) is [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane?
The canonical SMILES for [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane is c1ccc(-n2c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane?
The InChIKey is MAYQCCUVVQSORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S2/c1-5-18-42(19-6-1)61-56-37-36-47(64(44-20-7-2-8-21-44,45-22-9-3-10-23-45)46-24-11-4-12-25-46)38-52(56)54-40-57-53(39-58(54)61)49-26-13-15-30-55(49)62(57)43-34-32-41(33-35-43)48-28-17-29-51-50-27-14-16-31-59(50)63-60(48)51/h1-40H.
What are the key properties of [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane?
[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane has a molecular weight of 853.13 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 126591239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).