1-[butoxy(diphenyl)methyl]-9H-carbazole

C29H27NO — CID 154189917

IUPAC1-[butoxy(diphenyl)methyl]-9H-carbazole
SMILESCCCCOC(c1ccccc1)(c1ccccc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C29H27NO/c1-2-3-21-31-29(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-19-12-18-25-24-17-10-11-20-27(24)30-28(25)26/h4-20,30H,2-3,21H2,1H3
InChIKeyPVPVNWYNWGAMCV-UHFFFAOYSA-N
MW405.54 g/mol
LogP7.43
Rot. Bonds7

About 1-[butoxy(diphenyl)methyl]-9H-carbazole

1-[butoxy(diphenyl)methyl]-9H-carbazole (PubChem CID 154189917) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[butoxy(diphenyl)methyl]-9H-carbazole.

Molecular Properties

Compound Name1-[butoxy(diphenyl)methyl]-9H-carbazole
PubChem CID154189917
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name1-[butoxy(diphenyl)methyl]-9H-carbazole
SMILESCCCCOC(c1ccccc1)(c1ccccc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C29H27NO/c1-2-3-21-31-29(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-19-12-18-25-24-17-10-11-20-27(24)30-28(25)26/h4-20,30H,2-3,21H2,1H3
InChIKeyPVPVNWYNWGAMCV-UHFFFAOYSA-N
XLogP7.43
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(diphenyl)methyl]-9H-carbazole?
The IUPAC name of 1-[butoxy(diphenyl)methyl]-9H-carbazole (CID 154189917) is 1-[butoxy(diphenyl)methyl]-9H-carbazole.
What is the SMILES notation for 1-[butoxy(diphenyl)methyl]-9H-carbazole?
The canonical SMILES for 1-[butoxy(diphenyl)methyl]-9H-carbazole is CCCCOC(c1ccccc1)(c1ccccc1)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-[butoxy(diphenyl)methyl]-9H-carbazole?
The InChIKey is PVPVNWYNWGAMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-2-3-21-31-29(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-19-12-18-25-24-17-10-11-20-27(24)30-28(25)26/h4-20,30H,2-3,21H2,1H3.
What are the key properties of 1-[butoxy(diphenyl)methyl]-9H-carbazole?
1-[butoxy(diphenyl)methyl]-9H-carbazole has a molecular weight of 405.54 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(diphenyl)methyl]-9H-carbazole is sourced from PubChem (CID 154189917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).