CID 129023376

C64H38N2O — CID 129023376

IUPAC—
SMILESc1ccc(-c2cc(-c3cccc4c3-c3cc5c(cc3C43c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc43)oc3ccccc35)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C64H38N2O/c1-2-18-40(19-3-1)57-38-58(66-62(65-57)42-34-33-39-17-4-5-20-41(39)35-42)46-24-16-31-55-61(46)48-36-47-45-23-8-15-32-59(45)67-60(47)37-56(48)64(55)53-29-13-11-27-51(53)63(52-28-12-14-30-54(52)64)49-25-9-6-21-43(49)44-22-7-10-26-50(44)63/h1-38H
InChIKeyJKBRUZJZHPUGEC-UHFFFAOYSA-N
MW851.02 g/mol
LogP15.57
Rot. Bonds3

About CID 129023376

CID 129023376 (PubChem CID 129023376) has the molecular formula C64H38N2O and a molecular weight of 851.02 g/mol.

Molecular Properties

Compound NameCID 129023376
PubChem CID129023376
Molecular FormulaC64H38N2O
Molecular Weight851.02 g/mol
Exact Mass850.30
IUPAC Name—
SMILESc1ccc(-c2cc(-c3cccc4c3-c3cc5c(cc3C43c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc43)oc3ccccc35)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C64H38N2O/c1-2-18-40(19-3-1)57-38-58(66-62(65-57)42-34-33-39-17-4-5-20-41(39)35-42)46-24-16-31-55-61(46)48-36-47-45-23-8-15-32-59(45)67-60(47)37-56(48)64(55)53-29-13-11-27-51(53)63(52-28-12-14-30-54(52)64)49-25-9-6-21-43(49)44-22-7-10-26-50(44)63/h1-38H
InChIKeyJKBRUZJZHPUGEC-UHFFFAOYSA-N
XLogP15.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.02
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 162048265
CID 162048265
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
CID 129023009
CID 129023009
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-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
CID 155048189
2,4-dinaphthalen-2-yl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356274
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-dibenzofuran-1-yl-6-phenyl-2-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 147940366
CID 129023365
CID 129023365
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-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

Frequently Asked Questions

What is the IUPAC name of CID 129023376?
The IUPAC name of CID 129023376 (CID 129023376) is not available.
What is the SMILES notation for CID 129023376?
The canonical SMILES for CID 129023376 is c1ccc(-c2cc(-c3cccc4c3-c3cc5c(cc3C43c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc43)oc3ccccc35)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of CID 129023376?
The InChIKey is JKBRUZJZHPUGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N2O/c1-2-18-40(19-3-1)57-38-58(66-62(65-57)42-34-33-39-17-4-5-20-41(39)35-42)46-24-16-31-55-61(46)48-36-47-45-23-8-15-32-59(45)67-60(47)37-56(48)64(55)53-29-13-11-27-51(53)63(52-28-12-14-30-54(52)64)49-25-9-6-21-43(49)44-22-7-10-26-50(44)63/h1-38H.
What are the key properties of CID 129023376?
CID 129023376 has a molecular weight of 851.02 g/mol, XLogP of 15.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129023376 is sourced from PubChem (CID 129023376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).