12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole

C58H34N2S2 — CID 146532925

IUPAC12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(c5ccccc5n4-c4cccc5ccccc45)c2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C58H34N2S2/c1-2-13-35(14-3-1)37-27-30-51-47(33-37)41-29-31-52-55(46-19-6-8-24-50(46)60(52)49-25-10-16-36-15-4-5-17-39(36)49)56(41)59(51)38-28-32-54-48(34-38)45-23-12-22-44(58(45)62-54)43-21-11-20-42-40-18-7-9-26-53(40)61-57(42)43/h1-34H
InChIKeyQLDOJGJEYLARDF-UHFFFAOYSA-N
MW823.06 g/mol
LogP17.10
Rot. Bonds4

About 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole

12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole (PubChem CID 146532925) has the molecular formula C58H34N2S2 and a molecular weight of 823.06 g/mol. Its IUPAC name is 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole
PubChem CID146532925
Molecular FormulaC58H34N2S2
Molecular Weight823.06 g/mol
Exact Mass822.22
IUPAC Name12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(c5ccccc5n4-c4cccc5ccccc45)c2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C58H34N2S2/c1-2-13-35(14-3-1)37-27-30-51-47(33-37)41-29-31-52-55(46-19-6-8-24-50(46)60(52)49-25-10-16-36-15-4-5-17-39(36)49)56(41)59(51)38-28-32-54-48(34-38)45-23-12-22-44(58(45)62-54)43-21-11-20-42-40-18-7-9-26-53(40)61-57(42)43/h1-34H
InChIKeyQLDOJGJEYLARDF-UHFFFAOYSA-N
XLogP17.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.06
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
7-(3-dibenzothiophen-4-ylphenyl)-5,12-diphenylindolo[3,2-a]carbazole;12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 159461030
16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 161350792
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
12-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-9-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 146533258
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159576095
5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160706805
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848

Frequently Asked Questions

What is the IUPAC name of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole (CID 146532925) is 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2)c2ccc4c(c5ccccc5n4-c4cccc5ccccc45)c2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1.
What is the InChIKey of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole?
The InChIKey is QLDOJGJEYLARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2S2/c1-2-13-35(14-3-1)37-27-30-51-47(33-37)41-29-31-52-55(46-19-6-8-24-50(46)60(52)49-25-10-16-36-15-4-5-17-39(36)49)56(41)59(51)38-28-32-54-48(34-38)45-23-12-22-44(58(45)62-54)43-21-11-20-42-40-18-7-9-26-53(40)61-57(42)43/h1-34H.
What are the key properties of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole?
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole has a molecular weight of 823.06 g/mol, XLogP of 17.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146532925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).