3-benzyl-4-(4-methoxyphenyl)-9H-carbazole

C26H21NO — CID 141476071

IUPAC3-benzyl-4-(4-methoxyphenyl)-9H-carbazole
SMILESCOc1ccc(-c2c(Cc3ccccc3)ccc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C26H21NO/c1-28-21-14-11-19(12-15-21)25-20(17-18-7-3-2-4-8-18)13-16-24-26(25)22-9-5-6-10-23(22)27-24/h2-16,27H,17H2,1H3
InChIKeyATJOVFMMNGPMTN-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.59
Rot. Bonds4

About 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole

3-benzyl-4-(4-methoxyphenyl)-9H-carbazole (PubChem CID 141476071) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole.

Molecular Properties

Compound Name3-benzyl-4-(4-methoxyphenyl)-9H-carbazole
PubChem CID141476071
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name3-benzyl-4-(4-methoxyphenyl)-9H-carbazole
SMILESCOc1ccc(-c2c(Cc3ccccc3)ccc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C26H21NO/c1-28-21-14-11-19(12-15-21)25-20(17-18-7-3-2-4-8-18)13-16-24-26(25)22-9-5-6-10-23(22)27-24/h2-16,27H,17H2,1H3
InChIKeyATJOVFMMNGPMTN-UHFFFAOYSA-N
XLogP6.59
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole?
The IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole (CID 141476071) is 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole.
What is the SMILES notation for 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole?
The canonical SMILES for 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole is COc1ccc(-c2c(Cc3ccccc3)ccc3[nH]c4ccccc4c23)cc1.
What is the InChIKey of 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole?
The InChIKey is ATJOVFMMNGPMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-28-21-14-11-19(12-15-21)25-20(17-18-7-3-2-4-8-18)13-16-24-26(25)22-9-5-6-10-23(22)27-24/h2-16,27H,17H2,1H3.
What are the key properties of 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole?
3-benzyl-4-(4-methoxyphenyl)-9H-carbazole has a molecular weight of 363.46 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-methoxyphenyl)-9H-carbazole is sourced from PubChem (CID 141476071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).