(6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one

C110H90N6O11 — CID 159071717

IUPAC(6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one
SMILESCc1c2c(c(C)c3c1[nH]c1ccc(O)cc13)C(=O)CC=C2.Cc1c2c(c(C)c3c1[nH]c1ccc(OC(=O)c4ccccc4)cc13)C(=O)CC=C2.Cc1c2c(c(C)c3c1[nH]c1ccc(OCc4ccccc4)cc13)C(=O)CC=C2.Cc1c2c(cc3c1[nH]c1ccc(OCc4ccccc4)cc13)C(=O)CC=C2.Cc1c2ccn(C)c(=O)c2c(C)c2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C25H19NO3.C25H21NO2.C24H19NO2.C18H16N2O2.C18H15NO2/c1-14-18-9-6-10-21(27)22(18)15(2)23-19-13-17(11-12-20(19)26-24(14)23)29-25(28)16-7-4-3-5-8-16;1-15-19-9-6-10-22(27)23(19)16(2)24-20-13-18(11-12-21(20)26-25(15)24)28-14-17-7-4-3-5-8-17;1-15-18-8-5-9-23(26)20(18)13-21-19-12-17(10-11-22(19)25-24(15)21)27-14-16-6-3-2-4-7-16;1-9-12-6-7-20(3)18(22)16(12)10(2)15-13-8-11(21)4-5-14(13)19-17(9)15;1-9-12-4-3-5-15(21)16(12)10(2)17-13-8-11(20)6-7-14(13)19-18(9)17/h3-9,11-13,26H,10H2,1-2H3;3-9,11-13,26H,10,14H2,1-2H3;2-8,10-13,25H,9,14H2,1H3;4-8,19,21H,1-3H3;3-4,6-8,19-20H,5H2,1-2H3
InChIKeyJZSQWBAYEDIQLE-UHFFFAOYSA-N
MW1671.96 g/mol
LogP25.42
Rot. Bonds8

About (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one

(6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one (PubChem CID 159071717) has the molecular formula C110H90N6O11 and a molecular weight of 1671.96 g/mol. Its IUPAC name is (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one.

Molecular Properties

Compound Name(6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one
PubChem CID159071717
Molecular FormulaC110H90N6O11
Molecular Weight1671.96 g/mol
Exact Mass1670.67
IUPAC Name(6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one
SMILESCc1c2c(c(C)c3c1[nH]c1ccc(O)cc13)C(=O)CC=C2.Cc1c2c(c(C)c3c1[nH]c1ccc(OC(=O)c4ccccc4)cc13)C(=O)CC=C2.Cc1c2c(c(C)c3c1[nH]c1ccc(OCc4ccccc4)cc13)C(=O)CC=C2.Cc1c2c(cc3c1[nH]c1ccc(OCc4ccccc4)cc13)C(=O)CC=C2.Cc1c2ccn(C)c(=O)c2c(C)c2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C25H19NO3.C25H21NO2.C24H19NO2.C18H16N2O2.C18H15NO2/c1-14-18-9-6-10-21(27)22(18)15(2)23-19-13-17(11-12-20(19)26-24(14)23)29-25(28)16-7-4-3-5-8-16;1-15-19-9-6-10-22(27)23(19)16(2)24-20-13-18(11-12-21(20)26-25(15)24)28-14-17-7-4-3-5-8-17;1-15-18-8-5-9-23(26)20(18)13-21-19-12-17(10-11-22(19)25-24(15)21)27-14-16-6-3-2-4-7-16;1-9-12-6-7-20(3)18(22)16(12)10(2)15-13-8-11(21)4-5-14(13)19-17(9)15;1-9-12-4-3-5-15(21)16(12)10(2)17-13-8-11(20)6-7-14(13)19-18(9)17/h3-9,11-13,26H,10H2,1-2H3;3-9,11-13,26H,10,14H2,1-2H3;2-8,10-13,25H,9,14H2,1H3;4-8,19,21H,1-3H3;3-4,6-8,19-20H,5H2,1-2H3
InChIKeyJZSQWBAYEDIQLE-UHFFFAOYSA-N
XLogP25.42
TPSA254.45 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001671.96
LogP ≤ 525.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one with MolForge

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Related Compounds

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CID 4189871
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Frequently Asked Questions

What is the IUPAC name of (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one?
The IUPAC name of (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one (CID 159071717) is (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one.
What is the SMILES notation for (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one?
The canonical SMILES for (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one is Cc1c2c(c(C)c3c1[nH]c1ccc(O)cc13)C(=O)CC=C2.Cc1c2c(c(C)c3c1[nH]c1ccc(OC(=O)c4ccccc4)cc13)C(=O)CC=C2.Cc1c2c(c(C)c3c1[nH]c1ccc(OCc4ccccc4)cc13)C(=O)CC=C2.Cc1c2c(cc3c1[nH]c1ccc(OCc4ccccc4)cc13)C(=O)CC=C2.Cc1c2ccn(C)c(=O)c2c(C)c2c1[nH]c1ccc(O)cc12.
What is the InChIKey of (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one?
The InChIKey is JZSQWBAYEDIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3.C25H21NO2.C24H19NO2.C18H16N2O2.C18H15NO2/c1-14-18-9-6-10-21(27)22(18)15(2)23-19-13-17(11-12-20(19)26-24(14)23)29-25(28)16-7-4-3-5-8-16;1-15-19-9-6-10-22(27)23(19)16(2)24-20-13-18(11-12-21(20)26-25(15)24)28-14-17-7-4-3-5-8-17;1-15-18-8-5-9-23(26)20(18)13-21-19-12-17(10-11-22(19)25-24(15)21)27-14-16-6-3-2-4-7-16;1-9-12-6-7-20(3)18(22)16(12)10(2)15-13-8-11(21)4-5-14(13)19-17(9)15;1-9-12-4-3-5-15(21)16(12)10(2)17-13-8-11(20)6-7-14(13)19-18(9)17/h3-9,11-13,26H,10H2,1-2H3;3-9,11-13,26H,10,14H2,1-2H3;2-8,10-13,25H,9,14H2,1H3;4-8,19,21H,1-3H3;3-4,6-8,19-20H,5H2,1-2H3.
What are the key properties of (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one?
(6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one has a molecular weight of 1671.96 g/mol, XLogP of 25.42, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (6,11-dimethyl-10-oxo-5,9-dihydrobenzo[b]carbazol-2-yl) benzoate;6,11-dimethyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one;2-hydroxy-6,11-dimethyl-5,9-dihydrobenzo[b]carbazol-10-one;9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-1-one;6-methyl-2-phenylmethoxy-5,9-dihydrobenzo[b]carbazol-10-one is sourced from PubChem (CID 159071717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).