3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane

C81H94N4O4S — CID 158724458

IUPAC3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane
SMILESC1CCOC1.CCCCC(CC)CC(C)(C)C.CCCCC(CC)COS(=O)(=O)c1ccc(C)cc1.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4C)ccc21.c1ccc2c(c1)[nH]c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc12
InChIInChI=1S/C26H20N2.C24H16N2.C15H24O3S.C12H26.C4H8O/c1-27-23-9-5-3-7-19(23)21-15-17(11-13-25(21)27)18-12-14-26-22(16-18)20-8-4-6-10-24(20)28(26)2;1-3-7-21-17(5-1)19-13-15(9-11-23(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-22(18)26-24;1-4-6-7-14(5-2)12-18-19(16,17)15-10-8-13(3)9-11-15;1-6-8-9-11(7-2)10-12(3,4)5;1-2-4-5-3-1/h3-16H,1-2H3;1-14,25-26H;8-11,14H,4-7,12H2,1-3H3;11H,6-10H2,1-5H3;1-4H2
InChIKeyIKHXURDDBNPSEU-UHFFFAOYSA-N
MW1219.73 g/mol
LogP22.62
Rot. Bonds15

About 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane

3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane (PubChem CID 158724458) has the molecular formula C81H94N4O4S and a molecular weight of 1219.73 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane
PubChem CID158724458
Molecular FormulaC81H94N4O4S
Molecular Weight1219.73 g/mol
Exact Mass1218.70
IUPAC Name3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane
SMILESC1CCOC1.CCCCC(CC)CC(C)(C)C.CCCCC(CC)COS(=O)(=O)c1ccc(C)cc1.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4C)ccc21.c1ccc2c(c1)[nH]c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc12
InChIInChI=1S/C26H20N2.C24H16N2.C15H24O3S.C12H26.C4H8O/c1-27-23-9-5-3-7-19(23)21-15-17(11-13-25(21)27)18-12-14-26-22(16-18)20-8-4-6-10-24(20)28(26)2;1-3-7-21-17(5-1)19-13-15(9-11-23(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-22(18)26-24;1-4-6-7-14(5-2)12-18-19(16,17)15-10-8-13(3)9-11-15;1-6-8-9-11(7-2)10-12(3,4)5;1-2-4-5-3-1/h3-16H,1-2H3;1-14,25-26H;8-11,14H,4-7,12H2,1-3H3;11H,6-10H2,1-5H3;1-4H2
InChIKeyIKHXURDDBNPSEU-UHFFFAOYSA-N
XLogP22.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.73
LogP ≤ 522.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,6-diphenyl-9H-carbazol-1-yl)-9H-carbazol-3-yl]-9-(4-methylphenyl)sulfonyl-3,6-diphenylcarbazole
CID 118535983
3,6-bis(3,6-ditert-butyl-9H-carbazol-1-yl)-9-(4-methylphenyl)sulfonylcarbazole
CID 118558103
1-[3-[9-[1-(4-Methylphenyl)sulfonyloxyethyl]carbazol-1-yl]carbazol-9-yl]ethyl 4-methylbenzenesulfonate
CID 126664187
2-[3-[9-[2-(4-Methylphenyl)sulfonyloxyethyl]carbazol-1-yl]carbazol-9-yl]ethyl 4-methylbenzenesulfonate
CID 126664188
3-(9H-carbazol-3-yl)-9H-carbazole;deuterio(fluoro)methane;1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 157507347
potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
CID 158017754
potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
CID 159401324
N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline
CID 159492039
2-[[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]methyl]-1-methylindole;5-fluoro-2-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]-1H-indole;2-[3-[1-(1H-inden-2-yl)ethenyl]phenyl]-1H-indole;1H-inden-2-yl-[3-(1H-indol-2-yl)phenyl]methanethione;1-(1H-indol-2-yl)-1-[3-(1H-indol-2-yl)phenyl]-N-methylmethanimine
CID 160454391
2-(benzenesulfonyl)-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydrocarbazole-1,4'-cyclohexane]-1'-amine;N,N-dimethyl-1',3-diphenylspiro[2,3,4,9-tetrahydrocarbazole-1,4'-cyclohexane]-1'-amine;N,N-dimethyl-1'-(3-methylphenyl)-3-phenylspiro[2,3,4,9-tetrahydrocarbazole-1,4'-cyclohexane]-1'-amine;N,N,3,3-tetramethyl-1'-phenylspiro[4,9-dihydro-2H-carbazole-1,4'-cyclohexane]-1'-amine;N,N,4,4-tetramethyl-1'-phenylspiro[3,9-dihydro-2H-carbazole-1,4'-cyclohexane]-1'-amine
CID 161075346
9-(9H-carbazol-3-yl)-3,6-diphenylcarbazole;9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]-3,6-diphenylcarbazole
CID 161621047
potassium;9-[6-(3,6-diphenylcarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole;9-[6-(3,6-diphenylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]-3,6-diphenylcarbazole;hydroxide
CID 161812647

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane?
The IUPAC name of 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane (CID 158724458) is 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane is C1CCOC1.CCCCC(CC)CC(C)(C)C.CCCCC(CC)COS(=O)(=O)c1ccc(C)cc1.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4C)ccc21.c1ccc2c(c1)[nH]c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc12.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane?
The InChIKey is IKHXURDDBNPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2.C24H16N2.C15H24O3S.C12H26.C4H8O/c1-27-23-9-5-3-7-19(23)21-15-17(11-13-25(21)27)18-12-14-26-22(16-18)20-8-4-6-10-24(20)28(26)2;1-3-7-21-17(5-1)19-13-15(9-11-23(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-22(18)26-24;1-4-6-7-14(5-2)12-18-19(16,17)15-10-8-13(3)9-11-15;1-6-8-9-11(7-2)10-12(3,4)5;1-2-4-5-3-1/h3-16H,1-2H3;1-14,25-26H;8-11,14H,4-7,12H2,1-3H3;11H,6-10H2,1-5H3;1-4H2.
What are the key properties of 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane?
3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane has a molecular weight of 1219.73 g/mol, XLogP of 22.62, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane is sourced from PubChem (CID 158724458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).