4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole

C31H23NO — CID 102141749

IUPAC4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C31H23NO/c1-33-24-18-16-22(17-19-24)27-20-26(21-10-4-2-5-11-21)29(23-12-6-3-7-13-23)31-30(27)25-14-8-9-15-28(25)32-31/h2-20,32H,1H3
InChIKeyMNEUPNDXBYPANU-UHFFFAOYSA-N
MW425.53 g/mol
LogP8.33
Rot. Bonds4

About 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole

4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole (PubChem CID 102141749) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole
PubChem CID102141749
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C31H23NO/c1-33-24-18-16-22(17-19-24)27-20-26(21-10-4-2-5-11-21)29(23-12-6-3-7-13-23)31-30(27)25-14-8-9-15-28(25)32-31/h2-20,32H,1H3
InChIKeyMNEUPNDXBYPANU-UHFFFAOYSA-N
XLogP8.33
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole?
The IUPAC name of 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole (CID 102141749) is 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole is COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3[nH]c4ccccc4c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole?
The InChIKey is MNEUPNDXBYPANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-33-24-18-16-22(17-19-24)27-20-26(21-10-4-2-5-11-21)29(23-12-6-3-7-13-23)31-30(27)25-14-8-9-15-28(25)32-31/h2-20,32H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole?
4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole has a molecular weight of 425.53 g/mol, XLogP of 8.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole is sourced from PubChem (CID 102141749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).