4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole

C23H23NO — CID 141476101

IUPAC4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole
SMILESCCCc1ccc2[nH]c3ccc(C)cc3c2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H23NO/c1-4-5-16-9-13-21-23(19-14-15(2)6-12-20(19)24-21)22(16)17-7-10-18(25-3)11-8-17/h6-14,24H,4-5H2,1-3H3
InChIKeyZYZYUGNQPFWFPL-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.26
Rot. Bonds4

About 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole

4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole (PubChem CID 141476101) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole
PubChem CID141476101
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole
SMILESCCCc1ccc2[nH]c3ccc(C)cc3c2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H23NO/c1-4-5-16-9-13-21-23(19-14-15(2)6-12-20(19)24-21)22(16)17-7-10-18(25-3)11-8-17/h6-14,24H,4-5H2,1-3H3
InChIKeyZYZYUGNQPFWFPL-UHFFFAOYSA-N
XLogP6.26
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole?
The IUPAC name of 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole (CID 141476101) is 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole?
The canonical SMILES for 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole is CCCc1ccc2[nH]c3ccc(C)cc3c2c1-c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole?
The InChIKey is ZYZYUGNQPFWFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-4-5-16-9-13-21-23(19-14-15(2)6-12-20(19)24-21)22(16)17-7-10-18(25-3)11-8-17/h6-14,24H,4-5H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole?
4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole has a molecular weight of 329.44 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole is sourced from PubChem (CID 141476101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).