9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole

C99H65N9S4 — CID 157295598

IUPAC9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)nc2)=CCC1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)cc2)nc1.c1cncc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)cc2)c1.c1cncc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)nc2)c1
InChIInChI=1S/2C25H16N2S.C25H18N2S.C24H15N3S/c1-2-7-23-20(5-1)21-15-18-12-14-28-25(18)16-24(21)27(23)19-10-8-17(9-11-19)22-6-3-4-13-26-22;1-2-6-23-21(5-1)22-14-18-11-13-28-25(18)15-24(22)27(23)20-9-7-17(8-10-20)19-4-3-12-26-16-19;1-2-6-17(7-3-1)19-10-11-25(26-16-19)27-22-9-5-4-8-20(22)21-14-18-12-13-28-24(18)15-23(21)27;1-2-6-21-19(5-1)20-12-16-9-11-28-23(16)13-22(20)27(21)24-8-7-18(15-26-24)17-4-3-10-25-14-17/h2*1-16H;2,4-16H,1,3H2;1-15H
InChIKeyBBHRHLIOQJYDDD-UHFFFAOYSA-N
MW1508.94 g/mol
LogP27.70
Rot. Bonds8

About 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole

9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole (PubChem CID 157295598) has the molecular formula C99H65N9S4 and a molecular weight of 1508.94 g/mol. Its IUPAC name is 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole.

Molecular Properties

Compound Name9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole
PubChem CID157295598
Molecular FormulaC99H65N9S4
Molecular Weight1508.94 g/mol
Exact Mass1507.42
IUPAC Name9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)nc2)=CCC1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)cc2)nc1.c1cncc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)cc2)c1.c1cncc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)nc2)c1
InChIInChI=1S/2C25H16N2S.C25H18N2S.C24H15N3S/c1-2-7-23-20(5-1)21-15-18-12-14-28-25(18)16-24(21)27(23)19-10-8-17(9-11-19)22-6-3-4-13-26-22;1-2-6-23-21(5-1)22-14-18-11-13-28-25(18)15-24(22)27(23)20-9-7-17(8-10-20)19-4-3-12-26-16-19;1-2-6-17(7-3-1)19-10-11-25(26-16-19)27-22-9-5-4-8-20(22)21-14-18-12-13-28-24(18)15-23(21)27;1-2-6-21-19(5-1)20-12-16-9-11-28-23(16)13-22(20)27(21)24-8-7-18(15-26-24)17-4-3-10-25-14-17/h2*1-16H;2,4-16H,1,3H2;1-15H
InChIKeyBBHRHLIOQJYDDD-UHFFFAOYSA-N
XLogP27.70
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.94
LogP ≤ 527.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole with MolForge

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Related Compounds

N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086
5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[4-[3-[(2Z,4E)-5-[4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 138554854
3-[2,5-Bis([1]benzothiolo[3,2-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393928
12-[5-([1]Benzothiolo[3,2-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 146393960
9-(4-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[(6-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 161231998
6-deuterio-N-methyl-N-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]pyridin-2-amine;N-[3-[9-(3-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]-N-methylpyridin-2-amine;N-[3-[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]-N-methylpyridin-2-amine;N-[3-[9-(5-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]-N-methylpyridin-2-amine;N-[3-[9-(6-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]-N-methylpyridin-2-amine;9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;hexakis(platinum(2+))
CID 162000501
5-[4-[4-(4-Fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 163665937
9-[Fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole
CID 140952228
3-[Fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
CID 140953402
10-[Fluoro-(3-pyridin-2-ylphenyl)methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140953481
10-[3-[Fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140954582

Frequently Asked Questions

What is the IUPAC name of 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole?
The IUPAC name of 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole (CID 157295598) is 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole.
What is the SMILES notation for 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole?
The canonical SMILES for 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole is C1=CC(c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)nc2)=CCC1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)cc2)nc1.c1cncc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)cc2)c1.c1cncc(-c2ccc(-n3c4ccccc4c4cc5ccsc5cc43)nc2)c1.
What is the InChIKey of 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole?
The InChIKey is BBHRHLIOQJYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H16N2S.C25H18N2S.C24H15N3S/c1-2-7-23-20(5-1)21-15-18-12-14-28-25(18)16-24(21)27(23)19-10-8-17(9-11-19)22-6-3-4-13-26-22;1-2-6-23-21(5-1)22-14-18-11-13-28-25(18)15-24(22)27(23)20-9-7-17(8-10-20)19-4-3-12-26-16-19;1-2-6-17(7-3-1)19-10-11-25(26-16-19)27-22-9-5-4-8-20(22)21-14-18-12-13-28-24(18)15-23(21)27;1-2-6-21-19(5-1)20-12-16-9-11-28-23(16)13-22(20)27(21)24-8-7-18(15-26-24)17-4-3-10-25-14-17/h2*1-16H;2,4-16H,1,3H2;1-15H.
What are the key properties of 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole?
9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole has a molecular weight of 1508.94 g/mol, XLogP of 27.70, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole is sourced from PubChem (CID 157295598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).