CID 129023472

C71H43NO — CID 129023472

IUPAC—
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4cc6oc7ccccc7c6cc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C71H43NO/c1-2-18-47(19-3-1)66-40-49(41-67(72-66)53-25-16-20-46-17-4-5-21-50(46)53)45-35-33-44(34-36-45)48-37-38-60-55(39-48)56-43-69-57(54-24-8-15-32-68(54)73-69)42-65(56)71(60)63-30-13-11-28-61(63)70(62-29-12-14-31-64(62)71)58-26-9-6-22-51(58)52-23-7-10-27-59(52)70/h1-43H
InChIKeyWYKOVWBLFJFSKX-UHFFFAOYSA-N
MW926.13 g/mol
LogP17.84
Rot. Bonds4

About CID 129023472

CID 129023472 (PubChem CID 129023472) has the molecular formula C71H43NO and a molecular weight of 926.13 g/mol.

Molecular Properties

Compound NameCID 129023472
PubChem CID129023472
Molecular FormulaC71H43NO
Molecular Weight926.13 g/mol
Exact Mass925.33
IUPAC Name—
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4cc6oc7ccccc7c6cc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C71H43NO/c1-2-18-47(19-3-1)66-40-49(41-67(72-66)53-25-16-20-46-17-4-5-21-50(46)53)45-35-33-44(34-36-45)48-37-38-60-55(39-48)56-43-69-57(54-24-8-15-32-68(54)73-69)42-65(56)71(60)63-30-13-11-28-61(63)70(62-29-12-14-31-64(62)71)58-26-9-6-22-51(58)52-23-7-10-27-59(52)70/h1-43H
InChIKeyWYKOVWBLFJFSKX-UHFFFAOYSA-N
XLogP17.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.13
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129023365
CID 129023365
CID 129023009
CID 129023009
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
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
CID 154602507
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
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
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
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
4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-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 130261219
2-dibenzofuran-2-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 158042977

Frequently Asked Questions

What is the IUPAC name of CID 129023472?
The IUPAC name of CID 129023472 (CID 129023472) is not available.
What is the SMILES notation for CID 129023472?
The canonical SMILES for CID 129023472 is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4cc6oc7ccccc7c6cc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of CID 129023472?
The InChIKey is WYKOVWBLFJFSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43NO/c1-2-18-47(19-3-1)66-40-49(41-67(72-66)53-25-16-20-46-17-4-5-21-50(46)53)45-35-33-44(34-36-45)48-37-38-60-55(39-48)56-43-69-57(54-24-8-15-32-68(54)73-69)42-65(56)71(60)63-30-13-11-28-61(63)70(62-29-12-14-31-64(62)71)58-26-9-6-22-51(58)52-23-7-10-27-59(52)70/h1-43H.
What are the key properties of CID 129023472?
CID 129023472 has a molecular weight of 926.13 g/mol, XLogP of 17.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129023472 is sourced from PubChem (CID 129023472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).