6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol

C33H25NO7 — CID 175626943

IUPAC6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol
SMILESCc1c(C)c(O)c2c(c1O)c1c(O)c(O)c(O)c(O)c1n2-c1ccccc1-c1ccc2oc3cccc(C)c3c2c1
InChIInChI=1S/C33H25NO7/c1-14-7-6-10-22-23(14)19-13-17(11-12-21(19)41-22)18-8-4-5-9-20(18)34-26-24(28(35)15(2)16(3)29(26)36)25-27(34)31(38)33(40)32(39)30(25)37/h4-13,35-40H,1-3H3
InChIKeyQURXTCUTCAFDNG-UHFFFAOYSA-N
MW547.56 g/mol
LogP7.51
Rot. Bonds2

About 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol

6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol (PubChem CID 175626943) has the molecular formula C33H25NO7 and a molecular weight of 547.56 g/mol. Its IUPAC name is 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol.

Molecular Properties

Compound Name6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol
PubChem CID175626943
Molecular FormulaC33H25NO7
Molecular Weight547.56 g/mol
Exact Mass547.16
IUPAC Name6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol
SMILESCc1c(C)c(O)c2c(c1O)c1c(O)c(O)c(O)c(O)c1n2-c1ccccc1-c1ccc2oc3cccc(C)c3c2c1
InChIInChI=1S/C33H25NO7/c1-14-7-6-10-22-23(14)19-13-17(11-12-21(19)41-22)18-8-4-5-9-20(18)34-26-24(28(35)15(2)16(3)29(26)36)25-27(34)31(38)33(40)32(39)30(25)37/h4-13,35-40H,1-3H3
InChIKeyQURXTCUTCAFDNG-UHFFFAOYSA-N
XLogP7.51
TPSA139.45 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500547.56
LogP ≤ 57.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
9-methyldibenzofuran-2-ol
CID 142343102
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
2-(2-methylphenyl)dibenzofuran
CID 118188503
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
CID 156734737
3-dibenzofuran-1-yl-5-methyl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142352819
9-(2-dibenzofuran-2-ylphenyl)-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169284782
4-(9-methyldibenzofuran-2-yl)pyridine
CID 146397344
2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166096450
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol
CID 118507731
9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
CID 162091058

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol?
The IUPAC name of 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol (CID 175626943) is 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol.
What is the SMILES notation for 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol?
The canonical SMILES for 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol is Cc1c(C)c(O)c2c(c1O)c1c(O)c(O)c(O)c(O)c1n2-c1ccccc1-c1ccc2oc3cccc(C)c3c2c1.
What is the InChIKey of 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol?
The InChIKey is QURXTCUTCAFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO7/c1-14-7-6-10-22-23(14)19-13-17(11-12-21(19)41-22)18-8-4-5-9-20(18)34-26-24(28(35)15(2)16(3)29(26)36)25-27(34)31(38)33(40)32(39)30(25)37/h4-13,35-40H,1-3H3.
What are the key properties of 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol?
6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol has a molecular weight of 547.56 g/mol, XLogP of 7.51, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-9-[2-(9-methyldibenzofuran-2-yl)phenyl]carbazole-1,2,3,4,5,8-hexol is sourced from PubChem (CID 175626943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).