2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine

C68H48N2S — CID 174304600

IUPAC2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)c6c5sc5ccc7ccccc7c56)nc(-c5ccccc5)n4)c3)cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H48N2S/c1-5-18-44(19-6-1)51-39-52(41-53(40-51)49-30-32-57-56-28-13-14-29-59(56)68(60(57)42-49)36-15-4-16-37-68)48-25-17-26-50(38-48)61-43-62(70-67(69-61)47-23-9-3-10-24-47)58-34-33-55(45-20-7-2-8-21-45)65-64-54-27-12-11-22-46(54)31-35-63(64)71-66(58)65/h1-3,5-14,17-35,38-43H,4,15-16,36-37H2
InChIKeyOGDPXINGHKITCX-UHFFFAOYSA-N
MW925.21 g/mol
LogP18.90
Rot. Bonds7

About 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine

2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine (PubChem CID 174304600) has the molecular formula C68H48N2S and a molecular weight of 925.21 g/mol. Its IUPAC name is 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine
PubChem CID174304600
Molecular FormulaC68H48N2S
Molecular Weight925.21 g/mol
Exact Mass924.35
IUPAC Name2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)c6c5sc5ccc7ccccc7c56)nc(-c5ccccc5)n4)c3)cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H48N2S/c1-5-18-44(19-6-1)51-39-52(41-53(40-51)49-30-32-57-56-28-13-14-29-59(56)68(60(57)42-49)36-15-4-16-37-68)48-25-17-26-50(38-48)61-43-62(70-67(69-61)47-23-9-3-10-24-47)58-34-33-55(45-20-7-2-8-21-45)65-64-54-27-12-11-22-46(54)31-35-63(64)71-66(58)65/h1-3,5-14,17-35,38-43H,4,15-16,36-37H2
InChIKeyOGDPXINGHKITCX-UHFFFAOYSA-N
XLogP18.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.21
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine 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

2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-1-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)pyrimidine
CID 159818880
4-[8-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)dibenzothiophen-4-yl]-2,6-diphenylpyrimidine
CID 166902505
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 149289560
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine
CID 161178608

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine (CID 174304600) is 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)c6c5sc5ccc7ccccc7c56)nc(-c5ccccc5)n4)c3)cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c2)cc1.
What is the InChIKey of 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine?
The InChIKey is OGDPXINGHKITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2S/c1-5-18-44(19-6-1)51-39-52(41-53(40-51)49-30-32-57-56-28-13-14-29-59(56)68(60(57)42-49)36-15-4-16-37-68)48-25-17-26-50(38-48)61-43-62(70-67(69-61)47-23-9-3-10-24-47)58-34-33-55(45-20-7-2-8-21-45)65-64-54-27-12-11-22-46(54)31-35-63(64)71-66(58)65/h1-3,5-14,17-35,38-43H,4,15-16,36-37H2.
What are the key properties of 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine?
2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine has a molecular weight of 925.21 g/mol, XLogP of 18.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(11-phenylnaphtho[2,1-b][1]benzothiol-8-yl)-6-[3-(3-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 174304600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).