CID 166902294

C64H52N2O — CID 166902294

IUPAC—
SMILESC1=C(c2ccc3c(c2)oc2ccccc23)NC(c2ccccc2)N=C1c1ccc(-c2cccc(-c3ccc4c(c3)-c3cc5c(cc3C43CCCCC3)-c3ccccc3C53CCCCC3)c2)cc1
InChIInChI=1S/C64H52N2O/c1-4-15-43(16-5-1)62-65-58(40-59(66-62)47-27-29-50-49-20-7-9-22-60(49)67-61(50)37-47)42-25-23-41(24-26-42)44-17-14-18-45(35-44)46-28-30-55-51(36-46)53-39-56-52(38-57(53)64(55)33-12-3-13-34-64)48-19-6-8-21-54(48)63(56)31-10-2-11-32-63/h1,4-9,14-30,35-40,62,66H,2-3,10-13,31-34H2
InChIKeyOLLXJFGEJPUVMP-UHFFFAOYSA-N
MW865.13 g/mol
LogP16.51
Rot. Bonds5

About CID 166902294

CID 166902294 (PubChem CID 166902294) has the molecular formula C64H52N2O and a molecular weight of 865.13 g/mol.

Molecular Properties

Compound NameCID 166902294
PubChem CID166902294
Molecular FormulaC64H52N2O
Molecular Weight865.13 g/mol
Exact Mass864.41
IUPAC Name—
SMILESC1=C(c2ccc3c(c2)oc2ccccc23)NC(c2ccccc2)N=C1c1ccc(-c2cccc(-c3ccc4c(c3)-c3cc5c(cc3C43CCCCC3)-c3ccccc3C53CCCCC3)c2)cc1
InChIInChI=1S/C64H52N2O/c1-4-15-43(16-5-1)62-65-58(40-59(66-62)47-27-29-50-49-20-7-9-22-60(49)67-61(50)37-47)42-25-23-41(24-26-42)44-17-14-18-45(35-44)46-28-30-55-51(36-46)53-39-56-52(38-57(53)64(55)33-12-3-13-34-64)48-19-6-8-21-54(48)63(56)31-10-2-11-32-63/h1,4-9,14-30,35-40,62,66H,2-3,10-13,31-34H2
InChIKeyOLLXJFGEJPUVMP-UHFFFAOYSA-N
XLogP16.51
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.13
LogP ≤ 516.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[cyclohexane-1,11'-fluoreno[3,2-b][1]benzofuran]-8'-ylphenyl)-1,2-dihydropyrimidine
CID 154947456
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
4-dibenzofuran-3-yl-6-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]-2-phenylpyrimidine
CID 166901830
2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
CID 159384957
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602
2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
CID 157367070
4,6-diphenyl-2-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,2-dihydropyrimidine
CID 167167379
CID 166902101
CID 166902101
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
2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 137420533
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147
4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
CID 155443287

Frequently Asked Questions

What is the IUPAC name of CID 166902294?
The IUPAC name of CID 166902294 (CID 166902294) is not available.
What is the SMILES notation for CID 166902294?
The canonical SMILES for CID 166902294 is C1=C(c2ccc3c(c2)oc2ccccc23)NC(c2ccccc2)N=C1c1ccc(-c2cccc(-c3ccc4c(c3)-c3cc5c(cc3C43CCCCC3)-c3ccccc3C53CCCCC3)c2)cc1.
What is the InChIKey of CID 166902294?
The InChIKey is OLLXJFGEJPUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2O/c1-4-15-43(16-5-1)62-65-58(40-59(66-62)47-27-29-50-49-20-7-9-22-60(49)67-61(50)37-47)42-25-23-41(24-26-42)44-17-14-18-45(35-44)46-28-30-55-51(36-46)53-39-56-52(38-57(53)64(55)33-12-3-13-34-64)48-19-6-8-21-54(48)63(56)31-10-2-11-32-63/h1,4-9,14-30,35-40,62,66H,2-3,10-13,31-34H2.
What are the key properties of CID 166902294?
CID 166902294 has a molecular weight of 865.13 g/mol, XLogP of 16.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902294 is sourced from PubChem (CID 166902294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).