6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole

C55H35N3S2 — CID 144788176

IUPAC6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole
SMILESC1=Cc2c(n(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc(-c4ccc5c(c4)c4cc6sc(-c7ccccc7)nc6cc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C55H35N3S2/c1-3-12-34(13-4-1)55-56-47-33-51-45(32-54(47)60-55)44-30-37(23-26-50(44)57(51)39-15-5-2-6-16-39)36-22-25-49-43(29-36)41-18-7-9-20-48(41)58(49)40-17-11-14-35(28-40)38-24-27-53-46(31-38)42-19-8-10-21-52(42)59-53/h1-8,10-19,21-33H,9,20H2
InChIKeyLSNBJSZRVLMRJO-UHFFFAOYSA-N
MW802.04 g/mol
LogP15.67
Rot. Bonds5

About 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole

6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole (PubChem CID 144788176) has the molecular formula C55H35N3S2 and a molecular weight of 802.04 g/mol. Its IUPAC name is 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole.

Molecular Properties

Compound Name6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole
PubChem CID144788176
Molecular FormulaC55H35N3S2
Molecular Weight802.04 g/mol
Exact Mass801.23
IUPAC Name6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole
SMILESC1=Cc2c(n(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc(-c4ccc5c(c4)c4cc6sc(-c7ccccc7)nc6cc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C55H35N3S2/c1-3-12-34(13-4-1)55-56-47-33-51-45(32-54(47)60-55)44-30-37(23-26-50(44)57(51)39-15-5-2-6-16-39)36-22-25-49-43(29-36)41-18-7-9-20-48(41)58(49)40-17-11-14-35(28-40)38-24-27-53-46(31-38)42-19-8-10-21-52(42)59-53/h1-8,10-19,21-33H,9,20H2
InChIKeyLSNBJSZRVLMRJO-UHFFFAOYSA-N
XLogP15.67
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.04
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole
CID 144578730
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
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-6-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 171455896
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650

Frequently Asked Questions

What is the IUPAC name of 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole?
The IUPAC name of 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole (CID 144788176) is 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole.
What is the SMILES notation for 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole?
The canonical SMILES for 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole is C1=Cc2c(n(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc(-c4ccc5c(c4)c4cc6sc(-c7ccccc7)nc6cc4n5-c4ccccc4)cc23)CC1.
What is the InChIKey of 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole?
The InChIKey is LSNBJSZRVLMRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S2/c1-3-12-34(13-4-1)55-56-47-33-51-45(32-54(47)60-55)44-30-37(23-26-50(44)57(51)39-15-5-2-6-16-39)36-22-25-49-43(29-36)41-18-7-9-20-48(41)58(49)40-17-11-14-35(28-40)38-24-27-53-46(31-38)42-19-8-10-21-52(42)59-53/h1-8,10-19,21-33H,9,20H2.
What are the key properties of 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole?
6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole has a molecular weight of 802.04 g/mol, XLogP of 15.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole is sourced from PubChem (CID 144788176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).