CID 146184527

C67H41N3S — CID 146184527

IUPAC—
SMILESN#Cc1cccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c(c5)Sc5ccccc5C65c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C67H41N3S/c68-42-43-16-14-19-47(38-43)48-20-15-21-50(39-48)62-41-61(69-65(70-62)46-17-2-1-3-18-46)45-34-32-44(33-35-45)49-36-37-60-64(40-49)71-63-31-13-12-30-59(63)67(60)57-28-10-8-26-55(57)66(56-27-9-11-29-58(56)67)53-24-6-4-22-51(53)52-23-5-7-25-54(52)66/h1-41H
InChIKeySYOJRYCKCYGESY-UHFFFAOYSA-N
MW920.15 g/mol
LogP16.21
Rot. Bonds5

About CID 146184527

CID 146184527 (PubChem CID 146184527) has the molecular formula C67H41N3S and a molecular weight of 920.15 g/mol.

Molecular Properties

Compound NameCID 146184527
PubChem CID146184527
Molecular FormulaC67H41N3S
Molecular Weight920.15 g/mol
Exact Mass919.30
IUPAC Name—
SMILESN#Cc1cccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c(c5)Sc5ccccc5C65c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C67H41N3S/c68-42-43-16-14-19-47(38-43)48-20-15-21-50(39-48)62-41-61(69-65(70-62)46-17-2-1-3-18-46)45-34-32-44(33-35-45)49-36-37-60-64(40-49)71-63-31-13-12-30-59(63)67(60)57-28-10-8-26-55(57)66(56-27-9-11-29-58(56)67)53-24-6-4-22-51(53)52-23-5-7-25-54(52)66/h1-41H
InChIKeySYOJRYCKCYGESY-UHFFFAOYSA-N
XLogP16.21
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.15
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 146184527 with MolForge

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

Launch Full Analysis

Related Compounds

6'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-carbonitrile
CID 153452261
7-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 153452214
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-3-carbonitrile
CID 146362493
3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]benzonitrile
CID 146362369
4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3-yl]benzonitrile
CID 146362836
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 166738191
4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]benzonitrile
CID 139476222
4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile
CID 146362830
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
7'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-carbonitrile
CID 146362373
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;6-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-carbonitrile;4-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;3-[3-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile;4-[4-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]phenyl]benzonitrile
CID 160784718

Frequently Asked Questions

What is the IUPAC name of CID 146184527?
The IUPAC name of CID 146184527 (CID 146184527) is not available.
What is the SMILES notation for CID 146184527?
The canonical SMILES for CID 146184527 is N#Cc1cccc(-c2cccc(-c3cc(-c4ccc(-c5ccc6c(c5)Sc5ccccc5C65c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of CID 146184527?
The InChIKey is SYOJRYCKCYGESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N3S/c68-42-43-16-14-19-47(38-43)48-20-15-21-50(39-48)62-41-61(69-65(70-62)46-17-2-1-3-18-46)45-34-32-44(33-35-45)49-36-37-60-64(40-49)71-63-31-13-12-30-59(63)67(60)57-28-10-8-26-55(57)66(56-27-9-11-29-58(56)67)53-24-6-4-22-51(53)52-23-5-7-25-54(52)66/h1-41H.
What are the key properties of CID 146184527?
CID 146184527 has a molecular weight of 920.15 g/mol, XLogP of 16.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184527 is sourced from PubChem (CID 146184527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).