9-(4-methoxyphenyl)-2,7-dimethylcarbazole

C21H19NO — CID 129212267

IUPAC9-(4-methoxyphenyl)-2,7-dimethylcarbazole
SMILESCOc1ccc(-n2c3cc(C)ccc3c3ccc(C)cc32)cc1
InChIInChI=1S/C21H19NO/c1-14-4-10-18-19-11-5-15(2)13-21(19)22(20(18)12-14)16-6-8-17(23-3)9-7-16/h4-13H,1-3H3
InChIKeyYRDKRZSTEDFKKR-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.41
Rot. Bonds2

About 9-(4-methoxyphenyl)-2,7-dimethylcarbazole

9-(4-methoxyphenyl)-2,7-dimethylcarbazole (PubChem CID 129212267) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-2,7-dimethylcarbazole
PubChem CID129212267
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name9-(4-methoxyphenyl)-2,7-dimethylcarbazole
SMILESCOc1ccc(-n2c3cc(C)ccc3c3ccc(C)cc32)cc1
InChIInChI=1S/C21H19NO/c1-14-4-10-18-19-11-5-15(2)13-21(19)22(20(18)12-14)16-6-8-17(23-3)9-7-16/h4-13H,1-3H3
InChIKeyYRDKRZSTEDFKKR-UHFFFAOYSA-N
XLogP5.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-2,7-dimethylcarbazole?
The IUPAC name of 9-(4-methoxyphenyl)-2,7-dimethylcarbazole (CID 129212267) is 9-(4-methoxyphenyl)-2,7-dimethylcarbazole.
What is the SMILES notation for 9-(4-methoxyphenyl)-2,7-dimethylcarbazole?
The canonical SMILES for 9-(4-methoxyphenyl)-2,7-dimethylcarbazole is COc1ccc(-n2c3cc(C)ccc3c3ccc(C)cc32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-2,7-dimethylcarbazole?
The InChIKey is YRDKRZSTEDFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-4-10-18-19-11-5-15(2)13-21(19)22(20(18)12-14)16-6-8-17(23-3)9-7-16/h4-13H,1-3H3.
What are the key properties of 9-(4-methoxyphenyl)-2,7-dimethylcarbazole?
9-(4-methoxyphenyl)-2,7-dimethylcarbazole has a molecular weight of 301.39 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-2,7-dimethylcarbazole is sourced from PubChem (CID 129212267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).