9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene

C26H25N — CID 174544647

IUPAC9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene
SMILESCC1(C)C=CC=C(c2ccccc2)C1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C14H16.C12H9N/c1-14(2)10-6-9-13(11-14)12-7-4-3-5-8-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h3-10H,11H2,1-2H3;1-8,13H
InChIKeyZBOIGRRIRJZJHE-UHFFFAOYSA-N
MW351.49 g/mol
LogP7.38
Rot. Bonds1

About 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene

9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene (PubChem CID 174544647) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene
PubChem CID174544647
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene
SMILESCC1(C)C=CC=C(c2ccccc2)C1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C14H16.C12H9N/c1-14(2)10-6-9-13(11-14)12-7-4-3-5-8-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h3-10H,11H2,1-2H3;1-8,13H
InChIKeyZBOIGRRIRJZJHE-UHFFFAOYSA-N
XLogP7.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
5,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 21252411
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole
CID 138714442
9H-carbazole;9,10-diphenylanthracene
CID 159841164
bromomethane;9H-carbazole
CID 67594562
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
3-(2-methylimidazolidin-2-yl)-2-phenyl-1H-indole
CID 57137184

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene (CID 174544647) is 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene is CC1(C)C=CC=C(c2ccccc2)C1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene?
The InChIKey is ZBOIGRRIRJZJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C12H9N/c1-14(2)10-6-9-13(11-14)12-7-4-3-5-8-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h3-10H,11H2,1-2H3;1-8,13H.
What are the key properties of 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene?
9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene has a molecular weight of 351.49 g/mol, XLogP of 7.38, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 174544647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).