3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C46H28N4OS — CID 146374100

IUPAC3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(Oc5ccc6sc7ccccc7c6c5)n4)ccc32)cc1
InChIInChI=1S/C46H28N4OS/c1-2-10-31(11-3-1)49-39-15-7-4-12-33(39)36-26-29(18-21-41(36)49)30-19-22-42-37(27-30)34-13-5-8-16-40(34)50(42)46-47-25-24-45(48-46)51-32-20-23-44-38(28-32)35-14-6-9-17-43(35)52-44/h1-28H
InChIKeyGGZDPEKJLQJVOS-UHFFFAOYSA-N
MW684.82 g/mol
LogP12.50
Rot. Bonds5

About 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 146374100) has the molecular formula C46H28N4OS and a molecular weight of 684.82 g/mol. Its IUPAC name is 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID146374100
Molecular FormulaC46H28N4OS
Molecular Weight684.82 g/mol
Exact Mass684.20
IUPAC Name3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(Oc5ccc6sc7ccccc7c6c5)n4)ccc32)cc1
InChIInChI=1S/C46H28N4OS/c1-2-10-31(11-3-1)49-39-15-7-4-12-33(39)36-26-29(18-21-41(36)49)30-19-22-42-37(27-30)34-13-5-8-16-40(34)50(42)46-47-25-24-45(48-46)51-32-20-23-44-38(28-32)35-14-6-9-17-43(35)52-44/h1-28H
InChIKeyGGZDPEKJLQJVOS-UHFFFAOYSA-N
XLogP12.50
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.82
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 146374100) is 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(Oc5ccc6sc7ccccc7c6c5)n4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GGZDPEKJLQJVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4OS/c1-2-10-31(11-3-1)49-39-15-7-4-12-33(39)36-26-29(18-21-41(36)49)30-19-22-42-37(27-30)34-13-5-8-16-40(34)50(42)46-47-25-24-45(48-46)51-32-20-23-44-38(28-32)35-14-6-9-17-43(35)52-44/h1-28H.
What are the key properties of 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 684.82 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 146374100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).