3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate

C86H76N6O10 — CID 158462988

IUPAC3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate
SMILESCOc1cc(C=O)cc2c1[nH]c1ccccc12.COc1cc(CO)cc2c1[nH]c1ccccc12.COc1cc(COC(C)=O)cc2c1[nH]c1ccccc12.Cc1cc2[nH]c3ccc(CO)cc3c2cc1C.Cc1ccc2[nH]c3ccc(C)cc3c2c1.O=Cc1cc(O)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H15NO3.C15H15NO.C14H13NO2.C14H11NO2.C14H13N.C13H9NO2/c1-10(18)20-9-11-7-13-12-5-3-4-6-14(12)17-16(13)15(8-11)19-2;1-9-5-12-13-7-11(8-17)3-4-14(13)16-15(12)6-10(9)2;2*1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;15-7-8-5-10-9-3-1-2-4-11(9)14-13(10)12(16)6-8/h3-8,17H,9H2,1-2H3;3-7,16-17H,8H2,1-2H3;2-7,15-16H,8H2,1H3;2-8,15H,1H3;3-8,15H,1-2H3;1-7,14,16H
InChIKeyHFKJUEQEGFLXJE-UHFFFAOYSA-N
MW1353.59 g/mol
LogP19.56
Rot. Bonds9

About 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate

3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate (PubChem CID 158462988) has the molecular formula C86H76N6O10 and a molecular weight of 1353.59 g/mol. Its IUPAC name is 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate.

Molecular Properties

Compound Name3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate
PubChem CID158462988
Molecular FormulaC86H76N6O10
Molecular Weight1353.59 g/mol
Exact Mass1352.56
IUPAC Name3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate
SMILESCOc1cc(C=O)cc2c1[nH]c1ccccc12.COc1cc(CO)cc2c1[nH]c1ccccc12.COc1cc(COC(C)=O)cc2c1[nH]c1ccccc12.Cc1cc2[nH]c3ccc(CO)cc3c2cc1C.Cc1ccc2[nH]c3ccc(C)cc3c2c1.O=Cc1cc(O)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H15NO3.C15H15NO.C14H13NO2.C14H11NO2.C14H13N.C13H9NO2/c1-10(18)20-9-11-7-13-12-5-3-4-6-14(12)17-16(13)15(8-11)19-2;1-9-5-12-13-7-11(8-17)3-4-14(13)16-15(12)6-10(9)2;2*1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;15-7-8-5-10-9-3-1-2-4-11(9)14-13(10)12(16)6-8/h3-8,17H,9H2,1-2H3;3-7,16-17H,8H2,1-2H3;2-7,15-16H,8H2,1H3;2-8,15H,1H3;3-8,15H,1-2H3;1-7,14,16H
InChIKeyHFKJUEQEGFLXJE-UHFFFAOYSA-N
XLogP19.56
TPSA243.56 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001353.59
LogP ≤ 519.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate with MolForge

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Related Compounds

Clausenawalline F
CID 57409127
Tetramethyl 2,7,16,21-tetrakis(4-methoxyphenyl)-29,30,31,32-tetrazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1(29),2,4,6,8(31),9,11,13,15,17,19,21,23,25,27-pentadecaene-11,12,25,26-tetracarboxylate
CID 139255709
5-O-benzyl 2-O-methyl 7-[3-[(2-methoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-indol-7-yl)oxy]propoxy]-4-methyl-1H-indole-2,5-dicarboxylate
CID 10818611
2-Ethoxycarbonyl-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-10-carboxylic acid
CID 68333650
2-(3-carboxy-6-methoxy-1,4-dimethyl-9H-carbazole-2-carbonyl)oxycarbonyl-6-methoxy-1,4-dimethyl-9H-carbazole-3-carboxylic acid
CID 88490296
3-[4-carboxy-1-(4-methoxyphenoxy)-6-phenylmethoxy-9H-carbazole-3-carbonyl]oxycarbonyl-1-(4-methoxyphenoxy)-6-phenylmethoxy-9H-carbazole-4-carboxylic acid
CID 88490318
3-(4-carboxy-1,6-dimethoxy-9H-carbazole-3-carbonyl)oxycarbonyl-1,6-dimethoxy-9H-carbazole-4-carboxylic acid
CID 88490355
3-(4-carboxy-1-ethoxy-6-phenylmethoxy-9H-carbazole-3-carbonyl)oxycarbonyl-1-ethoxy-6-phenylmethoxy-9H-carbazole-4-carboxylic acid
CID 88490361
3-(4-carboxy-6-methoxy-1-phenoxy-9H-carbazole-3-carbonyl)oxycarbonyl-6-methoxy-1-phenoxy-9H-carbazole-4-carboxylic acid
CID 88490438
1,3-Bis[2-(diethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
CID 138673123
Diethyl 6-(2-aminoethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl carbonate
CID 138673129
6-[2,4-dimethyl-3-(2-methylphenyl)phenyl]-5-methyl-2,12-dihydro-1H-[1]benzofuro[2,3-a]carbazole;5-ethyl-4-[(Z)-prop-1-enyl]-13,22,31-triazaoctacyclo[15.14.0.02,14.03,12.06,11.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(12),4,6,8,10,15,18(30),19,21(29),23,25,27-tetradecaene
CID 145347816

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate?
The IUPAC name of 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate (CID 158462988) is 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate.
What is the SMILES notation for 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate?
The canonical SMILES for 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate is COc1cc(C=O)cc2c1[nH]c1ccccc12.COc1cc(CO)cc2c1[nH]c1ccccc12.COc1cc(COC(C)=O)cc2c1[nH]c1ccccc12.Cc1cc2[nH]c3ccc(CO)cc3c2cc1C.Cc1ccc2[nH]c3ccc(C)cc3c2c1.O=Cc1cc(O)c2[nH]c3ccccc3c2c1.
What is the InChIKey of 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate?
The InChIKey is HFKJUEQEGFLXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3.C15H15NO.C14H13NO2.C14H11NO2.C14H13N.C13H9NO2/c1-10(18)20-9-11-7-13-12-5-3-4-6-14(12)17-16(13)15(8-11)19-2;1-9-5-12-13-7-11(8-17)3-4-14(13)16-15(12)6-10(9)2;2*1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;15-7-8-5-10-9-3-1-2-4-11(9)14-13(10)12(16)6-8/h3-8,17H,9H2,1-2H3;3-7,16-17H,8H2,1-2H3;2-7,15-16H,8H2,1H3;2-8,15H,1H3;3-8,15H,1-2H3;1-7,14,16H.
What are the key properties of 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate?
3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate has a molecular weight of 1353.59 g/mol, XLogP of 19.56, 9 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9H-carbazole;(6,7-dimethyl-9H-carbazol-3-yl)methanol;1-hydroxy-9H-carbazole-3-carbaldehyde;1-methoxy-9H-carbazole-3-carbaldehyde;(1-methoxy-9H-carbazol-3-yl)methanol;(1-methoxy-9H-carbazol-3-yl)methyl acetate is sourced from PubChem (CID 158462988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).