CID 166902028

C64H56N2 — CID 166902028

IUPAC—
SMILESC1=C(c2ccc3c(c2)C2(CCCCC2)c2cc4c(cc2-3)C2(CCCCC2)c2ccccc2-4)CCC(c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)c2)C1
InChIInChI=1S/C64H56N2/c1-5-16-43(17-6-1)44-28-30-47(31-29-44)60-42-61(66-62(65-60)48-18-7-2-8-19-48)51-21-15-20-49(38-51)45-24-26-46(27-25-45)50-32-33-53-55-41-58-54(40-59(55)64(57(53)39-50)36-13-4-14-37-64)52-22-9-10-23-56(52)63(58)34-11-3-12-35-63/h1-2,5-10,15-23,26,28-33,38-42,45H,3-4,11-14,24-25,27,34-37H2
InChIKeyOKSYCRASLBXOCC-UHFFFAOYSA-N
MW853.17 g/mol
LogP16.96
Rot. Bonds6

About CID 166902028

CID 166902028 (PubChem CID 166902028) has the molecular formula C64H56N2 and a molecular weight of 853.17 g/mol.

Molecular Properties

Compound NameCID 166902028
PubChem CID166902028
Molecular FormulaC64H56N2
Molecular Weight853.17 g/mol
Exact Mass852.44
IUPAC Name—
SMILESC1=C(c2ccc3c(c2)C2(CCCCC2)c2cc4c(cc2-3)C2(CCCCC2)c2ccccc2-4)CCC(c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)c2)C1
InChIInChI=1S/C64H56N2/c1-5-16-43(17-6-1)44-28-30-47(31-29-44)60-42-61(66-62(65-60)48-18-7-2-8-19-48)51-21-15-20-49(38-51)45-24-26-46(27-25-45)50-32-33-53-55-41-58-54(40-59(55)64(57(53)39-50)36-13-4-14-37-64)52-22-9-10-23-56(52)63(58)34-11-3-12-35-63/h1-2,5-10,15-23,26,28-33,38-42,45H,3-4,11-14,24-25,27,34-37H2
InChIKeyOKSYCRASLBXOCC-UHFFFAOYSA-N
XLogP16.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.17
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
CID 166902492
CID 166902492
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227
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-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine
CID 146352222
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
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635

Frequently Asked Questions

What is the IUPAC name of CID 166902028?
The IUPAC name of CID 166902028 (CID 166902028) is not available.
What is the SMILES notation for CID 166902028?
The canonical SMILES for CID 166902028 is C1=C(c2ccc3c(c2)C2(CCCCC2)c2cc4c(cc2-3)C2(CCCCC2)c2ccccc2-4)CCC(c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)c2)C1.
What is the InChIKey of CID 166902028?
The InChIKey is OKSYCRASLBXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2/c1-5-16-43(17-6-1)44-28-30-47(31-29-44)60-42-61(66-62(65-60)48-18-7-2-8-19-48)51-21-15-20-49(38-51)45-24-26-46(27-25-45)50-32-33-53-55-41-58-54(40-59(55)64(57(53)39-50)36-13-4-14-37-64)52-22-9-10-23-56(52)63(58)34-11-3-12-35-63/h1-2,5-10,15-23,26,28-33,38-42,45H,3-4,11-14,24-25,27,34-37H2.
What are the key properties of CID 166902028?
CID 166902028 has a molecular weight of 853.17 g/mol, XLogP of 16.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902028 is sourced from PubChem (CID 166902028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).