5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole

C48H32N2S2 — CID 170278913

IUPAC5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole
SMILESC1=CC2c3ccc4c(c5c(n4-c4cccc6sc7c(-c8cccc9sc%10ccccc%10c89)cccc7c46)CCC=C5)c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C48H32N2S2/c1-2-13-29(14-3-1)49-37-21-7-4-15-30(37)32-27-28-40-46(47(32)49)34-16-5-8-22-38(34)50(40)39-23-12-26-43-45(39)36-20-10-19-33(48(36)52-43)31-18-11-25-42-44(31)35-17-6-9-24-41(35)51-42/h1-7,9-21,23-28,30,37H,8,22H2
InChIKeyGXIAFHRNYIHGMQ-UHFFFAOYSA-N
MW700.93 g/mol
LogP13.72
Rot. Bonds3

About 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole

5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole (PubChem CID 170278913) has the molecular formula C48H32N2S2 and a molecular weight of 700.93 g/mol. Its IUPAC name is 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole
PubChem CID170278913
Molecular FormulaC48H32N2S2
Molecular Weight700.93 g/mol
Exact Mass700.20
IUPAC Name5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole
SMILESC1=CC2c3ccc4c(c5c(n4-c4cccc6sc7c(-c8cccc9sc%10ccccc%10c89)cccc7c46)CCC=C5)c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C48H32N2S2/c1-2-13-29(14-3-1)49-37-21-7-4-15-30(37)32-27-28-40-46(47(32)49)34-16-5-8-22-38(34)50(40)39-23-12-26-43-45(39)36-20-10-19-33(48(36)52-43)31-18-11-25-42-44(31)35-17-6-9-24-41(35)51-42/h1-7,9-21,23-28,30,37H,8,22H2
InChIKeyGXIAFHRNYIHGMQ-UHFFFAOYSA-N
XLogP13.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(4a,9a-dihydrocarbazol-9-yl)-7-(1,2-dihydrocarbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 89220145
5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
CID 122626270
9-dibenzothiophen-2-yl-4-(1,2-dihydrocarbazol-9-yl)carbazole
CID 137468008
4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole
CID 163518743
12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 167148692
3-dibenzothiophen-4-yl-2-(1,2,7,8-tetrahydrocarbazol-9-yl)aniline
CID 126596666
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 163863686
9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1,3,5,7,10,12,16,18,20,22,24-undecaene
CID 145280602
1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
CID 89129785
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 170135931
7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
CID 167200383

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole?
The IUPAC name of 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole (CID 170278913) is 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole?
The canonical SMILES for 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole is C1=CC2c3ccc4c(c5c(n4-c4cccc6sc7c(-c8cccc9sc%10ccccc%10c89)cccc7c46)CCC=C5)c3N(c3ccccc3)C2C=C1.
What is the InChIKey of 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole?
The InChIKey is GXIAFHRNYIHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S2/c1-2-13-29(14-3-1)49-37-21-7-4-15-30(37)32-27-28-40-46(47(32)49)34-16-5-8-22-38(34)50(40)39-23-12-26-43-45(39)36-20-10-19-33(48(36)52-43)31-18-11-25-42-44(31)35-17-6-9-24-41(35)51-42/h1-7,9-21,23-28,30,37H,8,22H2.
What are the key properties of 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole?
5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole has a molecular weight of 700.93 g/mol, XLogP of 13.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzothiophen-1-yldibenzothiophen-1-yl)-12-phenyl-3,4,7b,11a-tetrahydroindolo[3,2-c]carbazole is sourced from PubChem (CID 170278913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).