9-(4-tert-butylphenyl)-3-methoxycarbazole

C23H23NO — CID 73346180

IUPAC9-(4-tert-butylphenyl)-3-methoxycarbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)16-9-11-17(12-10-16)24-21-8-6-5-7-19(21)20-15-18(25-4)13-14-22(20)24/h5-15H,1-4H3
InChIKeyZTQBSMFKIIULNB-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.09
Rot. Bonds2

About 9-(4-tert-butylphenyl)-3-methoxycarbazole

9-(4-tert-butylphenyl)-3-methoxycarbazole (PubChem CID 73346180) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3-methoxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3-methoxycarbazole
PubChem CID73346180
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name9-(4-tert-butylphenyl)-3-methoxycarbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)16-9-11-17(12-10-16)24-21-8-6-5-7-19(21)20-15-18(25-4)13-14-22(20)24/h5-15H,1-4H3
InChIKeyZTQBSMFKIIULNB-UHFFFAOYSA-N
XLogP6.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3-methoxycarbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3-methoxycarbazole (CID 73346180) is 9-(4-tert-butylphenyl)-3-methoxycarbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3-methoxycarbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3-methoxycarbazole is COc1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-3-methoxycarbazole?
The InChIKey is ZTQBSMFKIIULNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-23(2,3)16-9-11-17(12-10-16)24-21-8-6-5-7-19(21)20-15-18(25-4)13-14-22(20)24/h5-15H,1-4H3.
What are the key properties of 9-(4-tert-butylphenyl)-3-methoxycarbazole?
9-(4-tert-butylphenyl)-3-methoxycarbazole has a molecular weight of 329.44 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3-methoxycarbazole is sourced from PubChem (CID 73346180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).