2,7-dimethoxy-4,5-diphenyl-9H-carbazole

C26H21NO2 — CID 139596138

IUPAC2,7-dimethoxy-4,5-diphenyl-9H-carbazole
SMILESCOc1cc(-c2ccccc2)c2c(c1)[nH]c1cc(OC)cc(-c3ccccc3)c12
InChIInChI=1S/C26H21NO2/c1-28-19-13-21(17-9-5-3-6-10-17)25-23(15-19)27-24-16-20(29-2)14-22(26(24)25)18-11-7-4-8-12-18/h3-16,27H,1-2H3
InChIKeyMTTFAQQFVMJALB-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.67
Rot. Bonds4

About 2,7-dimethoxy-4,5-diphenyl-9H-carbazole

2,7-dimethoxy-4,5-diphenyl-9H-carbazole (PubChem CID 139596138) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2,7-dimethoxy-4,5-diphenyl-9H-carbazole.

Molecular Properties

Compound Name2,7-dimethoxy-4,5-diphenyl-9H-carbazole
PubChem CID139596138
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name2,7-dimethoxy-4,5-diphenyl-9H-carbazole
SMILESCOc1cc(-c2ccccc2)c2c(c1)[nH]c1cc(OC)cc(-c3ccccc3)c12
InChIInChI=1S/C26H21NO2/c1-28-19-13-21(17-9-5-3-6-10-17)25-23(15-19)27-24-16-20(29-2)14-22(26(24)25)18-11-7-4-8-12-18/h3-16,27H,1-2H3
InChIKeyMTTFAQQFVMJALB-UHFFFAOYSA-N
XLogP6.67
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-4,5-diphenyl-9H-carbazole?
The IUPAC name of 2,7-dimethoxy-4,5-diphenyl-9H-carbazole (CID 139596138) is 2,7-dimethoxy-4,5-diphenyl-9H-carbazole.
What is the SMILES notation for 2,7-dimethoxy-4,5-diphenyl-9H-carbazole?
The canonical SMILES for 2,7-dimethoxy-4,5-diphenyl-9H-carbazole is COc1cc(-c2ccccc2)c2c(c1)[nH]c1cc(OC)cc(-c3ccccc3)c12.
What is the InChIKey of 2,7-dimethoxy-4,5-diphenyl-9H-carbazole?
The InChIKey is MTTFAQQFVMJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c1-28-19-13-21(17-9-5-3-6-10-17)25-23(15-19)27-24-16-20(29-2)14-22(26(24)25)18-11-7-4-8-12-18/h3-16,27H,1-2H3.
What are the key properties of 2,7-dimethoxy-4,5-diphenyl-9H-carbazole?
2,7-dimethoxy-4,5-diphenyl-9H-carbazole has a molecular weight of 379.46 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-4,5-diphenyl-9H-carbazole is sourced from PubChem (CID 139596138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).