1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole

C33H25NOS — CID 90067646

IUPAC1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole
SMILESCc1ccccc1-n1c2ccccc2c2ccc(Oc3ccc4c(sc5ccccc54)c3C)c(C)c21
InChIInChI=1S/C33H25NOS/c1-20-10-4-7-13-27(20)34-28-14-8-5-11-23(28)25-16-18-29(21(2)32(25)34)35-30-19-17-26-24-12-6-9-15-31(24)36-33(26)22(30)3/h4-19H,1-3H3
InChIKeyYOULBMOXEUVCLQ-UHFFFAOYSA-N
MW483.64 g/mol
LogP9.87
Rot. Bonds3

About 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole

1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole (PubChem CID 90067646) has the molecular formula C33H25NOS and a molecular weight of 483.64 g/mol. Its IUPAC name is 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole
PubChem CID90067646
Molecular FormulaC33H25NOS
Molecular Weight483.64 g/mol
Exact Mass483.17
IUPAC Name1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole
SMILESCc1ccccc1-n1c2ccccc2c2ccc(Oc3ccc4c(sc5ccccc54)c3C)c(C)c21
InChIInChI=1S/C33H25NOS/c1-20-10-4-7-13-27(20)34-28-14-8-5-11-23(28)25-16-18-29(21(2)32(25)34)35-30-19-17-26-24-12-6-9-15-31(24)36-33(26)22(30)3/h4-19H,1-3H3
InChIKeyYOULBMOXEUVCLQ-UHFFFAOYSA-N
XLogP9.87
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole?
The IUPAC name of 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole (CID 90067646) is 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole.
What is the SMILES notation for 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole?
The canonical SMILES for 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole is Cc1ccccc1-n1c2ccccc2c2ccc(Oc3ccc4c(sc5ccccc54)c3C)c(C)c21.
What is the InChIKey of 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole?
The InChIKey is YOULBMOXEUVCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NOS/c1-20-10-4-7-13-27(20)34-28-14-8-5-11-23(28)25-16-18-29(21(2)32(25)34)35-30-19-17-26-24-12-6-9-15-31(24)36-33(26)22(30)3/h4-19H,1-3H3.
What are the key properties of 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole?
1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole has a molecular weight of 483.64 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methyldibenzothiophen-3-yl)oxy-9-(2-methylphenyl)carbazole is sourced from PubChem (CID 90067646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).