9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine

C28H26N2O — CID 23597819

IUPAC9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine
SMILESCOc1ccc(-n2c3ccc(C)cc3c3cc(N(C)c4cccc(C)c4)ccc32)cc1
InChIInChI=1S/C28H26N2O/c1-19-6-5-7-22(16-19)29(3)23-11-15-28-26(18-23)25-17-20(2)8-14-27(25)30(28)21-9-12-24(31-4)13-10-21/h5-18H,1-4H3
InChIKeyOLSMTSMWRYNWTR-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.18
Rot. Bonds4

About 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine

9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine (PubChem CID 23597819) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine
PubChem CID23597819
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine
SMILESCOc1ccc(-n2c3ccc(C)cc3c3cc(N(C)c4cccc(C)c4)ccc32)cc1
InChIInChI=1S/C28H26N2O/c1-19-6-5-7-22(16-19)29(3)23-11-15-28-26(18-23)25-17-20(2)8-14-27(25)30(28)21-9-12-24(31-4)13-10-21/h5-18H,1-4H3
InChIKeyOLSMTSMWRYNWTR-UHFFFAOYSA-N
XLogP7.18
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine?
The IUPAC name of 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine (CID 23597819) is 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine?
The canonical SMILES for 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine is COc1ccc(-n2c3ccc(C)cc3c3cc(N(C)c4cccc(C)c4)ccc32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine?
The InChIKey is OLSMTSMWRYNWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-19-6-5-7-22(16-19)29(3)23-11-15-28-26(18-23)25-17-20(2)8-14-27(25)30(28)21-9-12-24(31-4)13-10-21/h5-18H,1-4H3.
What are the key properties of 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine?
9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine has a molecular weight of 406.53 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 23597819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).