CID 166901834

C58H46N2O — CID 166901834

IUPAC—
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc6c5-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)c4)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C58H46N2O/c1-4-17-37(18-5-1)56-59-53(55-54(60-56)44-24-7-9-28-51(44)61-55)41-22-15-20-39(34-41)38-19-14-21-40(33-38)42-25-16-27-48-52(42)46-36-49-45(35-50(46)58(48)31-12-3-13-32-58)43-23-6-8-26-47(43)57(49)29-10-2-11-30-57/h1,4-9,14-28,33-36H,2-3,10-13,29-32H2
InChIKeyBHBREJOEFMYDAS-UHFFFAOYSA-N
MW787.02 g/mol
LogP15.51
Rot. Bonds4

About CID 166901834

CID 166901834 (PubChem CID 166901834) has the molecular formula C58H46N2O and a molecular weight of 787.02 g/mol.

Molecular Properties

Compound NameCID 166901834
PubChem CID166901834
Molecular FormulaC58H46N2O
Molecular Weight787.02 g/mol
Exact Mass786.36
IUPAC Name—
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc6c5-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)c4)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C58H46N2O/c1-4-17-37(18-5-1)56-59-53(55-54(60-56)44-24-7-9-28-51(44)61-55)41-22-15-20-39(34-41)38-19-14-21-40(33-38)42-25-16-27-48-52(42)46-36-49-45(35-50(46)58(48)31-12-3-13-32-58)43-23-6-8-26-47(43)57(49)29-10-2-11-30-57/h1,4-9,14-28,33-36H,2-3,10-13,29-32H2
InChIKeyBHBREJOEFMYDAS-UHFFFAOYSA-N
XLogP15.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 166902101
CID 166902101
4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166901756
CID 166901869
CID 166901869
CID 166901896
CID 166901896
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747290
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
5'-[2-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 177045416
2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 174300084
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747289
CID 166901879
CID 166901879
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746

Frequently Asked Questions

What is the IUPAC name of CID 166901834?
The IUPAC name of CID 166901834 (CID 166901834) is not available.
What is the SMILES notation for CID 166901834?
The canonical SMILES for CID 166901834 is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc6c5-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)c4)c3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of CID 166901834?
The InChIKey is BHBREJOEFMYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2O/c1-4-17-37(18-5-1)56-59-53(55-54(60-56)44-24-7-9-28-51(44)61-55)41-22-15-20-39(34-41)38-19-14-21-40(33-38)42-25-16-27-48-52(42)46-36-49-45(35-50(46)58(48)31-12-3-13-32-58)43-23-6-8-26-47(43)57(49)29-10-2-11-30-57/h1,4-9,14-28,33-36H,2-3,10-13,29-32H2.
What are the key properties of CID 166901834?
CID 166901834 has a molecular weight of 787.02 g/mol, XLogP of 15.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166901834 is sourced from PubChem (CID 166901834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).