CID 176825210

C51H44N2 — CID 176825210

IUPAC—
SMILES[2H]C1([2H])CC2(CCCCC2)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc12
InChIInChI=1S/C51H44N2/c1-4-14-36(15-5-1)47-35-48(53-49(52-47)37-16-6-2-7-17-37)42-21-13-20-40(33-42)38-18-12-19-39(32-38)41-24-25-44-43-22-8-9-23-45(43)51(46(44)34-41)30-28-50(29-31-51)26-10-3-11-27-50/h1-2,4-9,12-25,32-35H,3,10-11,26-31H2/i30D2,31D2
InChIKeyZIOXAPOVSOCAPH-YCHMZMAOSA-N
MW688.95 g/mol
LogP13.60
Rot. Bonds5

About CID 176825210

CID 176825210 (PubChem CID 176825210) has the molecular formula C51H44N2 and a molecular weight of 688.95 g/mol.

Molecular Properties

Compound NameCID 176825210
PubChem CID176825210
Molecular FormulaC51H44N2
Molecular Weight688.95 g/mol
Exact Mass688.38
IUPAC Name—
SMILES[2H]C1([2H])CC2(CCCCC2)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc12
InChIInChI=1S/C51H44N2/c1-4-14-36(15-5-1)47-35-48(53-49(52-47)37-16-6-2-7-17-37)42-21-13-20-40(33-42)38-18-12-19-39(32-38)41-24-25-44-43-22-8-9-23-45(43)51(46(44)34-41)30-28-50(29-31-51)26-10-3-11-27-50/h1-2,4-9,12-25,32-35H,3,10-11,26-31H2/i30D2,31D2
InChIKeyZIOXAPOVSOCAPH-YCHMZMAOSA-N
XLogP13.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.95
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 176825215
CID 176825215
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
CID 176825213
CID 176825213
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2,4-diphenyl-6-[2-[3-(1,1,3,3-tetradeuteriospiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazine
CID 176825227
2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-1-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)pyrimidine
CID 159818880
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227

Frequently Asked Questions

What is the IUPAC name of CID 176825210?
The IUPAC name of CID 176825210 (CID 176825210) is not available.
What is the SMILES notation for CID 176825210?
The canonical SMILES for CID 176825210 is [2H]C1([2H])CC2(CCCCC2)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc12.
What is the InChIKey of CID 176825210?
The InChIKey is ZIOXAPOVSOCAPH-YCHMZMAOSA-N. The full InChI is InChI=1S/C51H44N2/c1-4-14-36(15-5-1)47-35-48(53-49(52-47)37-16-6-2-7-17-37)42-21-13-20-40(33-42)38-18-12-19-39(32-38)41-24-25-44-43-22-8-9-23-45(43)51(46(44)34-41)30-28-50(29-31-51)26-10-3-11-27-50/h1-2,4-9,12-25,32-35H,3,10-11,26-31H2/i30D2,31D2.
What are the key properties of CID 176825210?
CID 176825210 has a molecular weight of 688.95 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176825210 is sourced from PubChem (CID 176825210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).