CID 129023009

C66H40N2O — CID 129023009

IUPAC—
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cc6oc7ccccc7c6cc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)n2)cc1
InChIInChI=1S/C66H40N2O/c1-3-18-41(19-4-1)60-40-61(42-20-5-2-6-21-42)68-64(67-60)45-23-17-22-43(36-45)44-34-35-54-49(37-44)50-39-63-51(48-26-9-16-33-62(48)69-63)38-59(50)66(54)57-31-14-12-29-55(57)65(56-30-13-15-32-58(56)66)52-27-10-7-24-46(52)47-25-8-11-28-53(47)65/h1-40H
InChIKeyPPAPSFSVPQUUAC-UHFFFAOYSA-N
MW877.06 g/mol
LogP16.08
Rot. Bonds4

About CID 129023009

CID 129023009 (PubChem CID 129023009) has the molecular formula C66H40N2O and a molecular weight of 877.06 g/mol.

Molecular Properties

Compound NameCID 129023009
PubChem CID129023009
Molecular FormulaC66H40N2O
Molecular Weight877.06 g/mol
Exact Mass876.31
IUPAC Name—
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cc6oc7ccccc7c6cc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)n2)cc1
InChIInChI=1S/C66H40N2O/c1-3-18-41(19-4-1)60-40-61(42-20-5-2-6-21-42)68-64(67-60)45-23-17-22-43(36-45)44-34-35-54-49(37-44)50-39-63-51(48-26-9-16-33-62(48)69-63)38-59(50)66(54)57-31-14-12-29-55(57)65(56-30-13-15-32-58(56)66)52-27-10-7-24-46(52)47-25-8-11-28-53(47)65/h1-40H
InChIKeyPPAPSFSVPQUUAC-UHFFFAOYSA-N
XLogP16.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.06
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
CID 129023365
CID 129023365
CID 129023472
CID 129023472
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
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
4-dibenzofuran-3-yl-6-(3-phenylphenyl)-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]-11'-ylpyrimidine
CID 149321962
4-dibenzofuran-3-yl-2-(3-phenylphenyl)-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]-11'-ylpyrimidine
CID 147777919
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-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-phenyl-2-(2-phenylpyrimidin-5-yl)-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]-11'-ylpyrimidine
CID 134573609
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-dibenzofuran-2-yl-4-(2-phenylphenyl)-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 153288111

Frequently Asked Questions

What is the IUPAC name of CID 129023009?
The IUPAC name of CID 129023009 (CID 129023009) is not available.
What is the SMILES notation for CID 129023009?
The canonical SMILES for CID 129023009 is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4cc6oc7ccccc7c6cc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3)n2)cc1.
What is the InChIKey of CID 129023009?
The InChIKey is PPAPSFSVPQUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O/c1-3-18-41(19-4-1)60-40-61(42-20-5-2-6-21-42)68-64(67-60)45-23-17-22-43(36-45)44-34-35-54-49(37-44)50-39-63-51(48-26-9-16-33-62(48)69-63)38-59(50)66(54)57-31-14-12-29-55(57)65(56-30-13-15-32-58(56)66)52-27-10-7-24-46(52)47-25-8-11-28-53(47)65/h1-40H.
What are the key properties of CID 129023009?
CID 129023009 has a molecular weight of 877.06 g/mol, XLogP of 16.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129023009 is sourced from PubChem (CID 129023009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).