CID 129023365

C67H41NO — CID 129023365

IUPAC—
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4cc6c(cc4C54c5ccccc5C5(c7ccccc7-c7ccccc75)c5ccccc54)oc4ccccc46)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C67H41NO/c1-3-17-44(18-4-1)62-38-47(39-63(68-62)45-19-5-2-6-20-45)43-33-31-42(32-34-43)46-35-36-56-51(37-46)52-40-53-50-23-9-16-30-64(50)69-65(53)41-61(52)67(56)59-28-14-12-26-57(59)66(58-27-13-15-29-60(58)67)54-24-10-7-21-48(54)49-22-8-11-25-55(49)66/h1-41H
InChIKeyLLDFPVBRERFNMK-UHFFFAOYSA-N
MW876.07 g/mol
LogP16.69
Rot. Bonds4

About CID 129023365

CID 129023365 (PubChem CID 129023365) has the molecular formula C67H41NO and a molecular weight of 876.07 g/mol.

Molecular Properties

Compound NameCID 129023365
PubChem CID129023365
Molecular FormulaC67H41NO
Molecular Weight876.07 g/mol
Exact Mass875.32
IUPAC Name—
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4cc6c(cc4C54c5ccccc5C5(c7ccccc7-c7ccccc75)c5ccccc54)oc4ccccc46)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C67H41NO/c1-3-17-44(18-4-1)62-38-47(39-63(68-62)45-19-5-2-6-20-45)43-33-31-42(32-34-43)46-35-36-56-51(37-46)52-40-53-50-23-9-16-30-64(50)69-65(53)41-61(52)67(56)59-28-14-12-26-57(59)66(58-27-13-15-29-60(58)67)54-24-10-7-21-48(54)49-22-8-11-25-55(49)66/h1-41H
InChIKeyLLDFPVBRERFNMK-UHFFFAOYSA-N
XLogP16.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.07
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129023472
CID 129023472
CID 129023009
CID 129023009
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573455
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287979
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573611
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
CID 154602507
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153287663
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
CID 140918548
CID 140918548
2-(5-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158138584

Frequently Asked Questions

What is the IUPAC name of CID 129023365?
The IUPAC name of CID 129023365 (CID 129023365) is not available.
What is the SMILES notation for CID 129023365?
The canonical SMILES for CID 129023365 is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4cc6c(cc4C54c5ccccc5C5(c7ccccc7-c7ccccc75)c5ccccc54)oc4ccccc46)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of CID 129023365?
The InChIKey is LLDFPVBRERFNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NO/c1-3-17-44(18-4-1)62-38-47(39-63(68-62)45-19-5-2-6-20-45)43-33-31-42(32-34-43)46-35-36-56-51(37-46)52-40-53-50-23-9-16-30-64(50)69-65(53)41-61(52)67(56)59-28-14-12-26-57(59)66(58-27-13-15-29-60(58)67)54-24-10-7-21-48(54)49-22-8-11-25-55(49)66/h1-41H.
What are the key properties of CID 129023365?
CID 129023365 has a molecular weight of 876.07 g/mol, XLogP of 16.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129023365 is sourced from PubChem (CID 129023365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).