CID 166902101

C58H46N2O — CID 166902101

IUPAC—
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4cc6c(cc4C54CCCCC4)-c4ccccc4C64CCCCC4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C58H46N2O/c1-4-16-37(17-5-1)56-59-51(36-52(60-56)40-26-27-44-43-21-7-9-25-53(43)61-54(44)33-40)39-19-14-18-38(32-39)41-22-15-24-48-55(41)46-35-49-45(34-50(46)58(48)30-12-3-13-31-58)42-20-6-8-23-47(42)57(49)28-10-2-11-29-57/h1,4-9,14-27,32-36H,2-3,10-13,28-31H2
InChIKeyGGKFBXFNUJPEJH-UHFFFAOYSA-N
MW787.02 g/mol
LogP15.51
Rot. Bonds4

About CID 166902101

CID 166902101 (PubChem CID 166902101) has the molecular formula C58H46N2O and a molecular weight of 787.02 g/mol.

Molecular Properties

Compound NameCID 166902101
PubChem CID166902101
Molecular FormulaC58H46N2O
Molecular Weight787.02 g/mol
Exact Mass786.36
IUPAC Name—
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4cc6c(cc4C54CCCCC4)-c4ccccc4C64CCCCC4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C58H46N2O/c1-4-16-37(17-5-1)56-59-51(36-52(60-56)40-26-27-44-43-21-7-9-25-53(43)61-54(44)33-40)39-19-14-18-38(32-39)41-22-15-24-48-55(41)46-35-49-45(34-50(46)58(48)30-12-3-13-31-58)42-20-6-8-23-47(42)57(49)28-10-2-11-29-57/h1,4-9,14-27,32-36H,2-3,10-13,28-31H2
InChIKeyGGKFBXFNUJPEJH-UHFFFAOYSA-N
XLogP15.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-3-yl-6-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]-2-phenylpyrimidine
CID 166901830
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747289
2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 159690137
CID 166901869
CID 166901869
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747290
CID 166901834
CID 166901834
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 159562639
7'-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,9'-fluorene]-4'-carbonitrile
CID 171440771
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 158110650
5'-[6-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440952
5'-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440561
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 160926464

Frequently Asked Questions

What is the IUPAC name of CID 166902101?
The IUPAC name of CID 166902101 (CID 166902101) is not available.
What is the SMILES notation for CID 166902101?
The canonical SMILES for CID 166902101 is c1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4cc6c(cc4C54CCCCC4)-c4ccccc4C64CCCCC4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of CID 166902101?
The InChIKey is GGKFBXFNUJPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2O/c1-4-16-37(17-5-1)56-59-51(36-52(60-56)40-26-27-44-43-21-7-9-25-53(43)61-54(44)33-40)39-19-14-18-38(32-39)41-22-15-24-48-55(41)46-35-49-45(34-50(46)58(48)30-12-3-13-31-58)42-20-6-8-23-47(42)57(49)28-10-2-11-29-57/h1,4-9,14-27,32-36H,2-3,10-13,28-31H2.
What are the key properties of CID 166902101?
CID 166902101 has a molecular weight of 787.02 g/mol, XLogP of 15.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902101 is sourced from PubChem (CID 166902101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).