CID 166902331

C58H50N2 — CID 166902331

IUPAC—
SMILESC1=C2C(=CC3c4ccccc4C4(CCCCC4)C13)C1(CCCCC1)c1cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)ccc12
InChIInChI=1S/C58H50N2/c1-5-16-41(17-6-1)54-38-55(60-56(59-54)42-18-7-2-8-19-42)45-21-15-20-43(34-45)39-24-26-40(27-25-39)44-28-29-47-49-37-52-48(36-53(49)58(51(47)35-44)32-13-4-14-33-58)46-22-9-10-23-50(46)57(52)30-11-3-12-31-57/h1-2,5-10,15-29,34-38,48,52H,3-4,11-14,30-33H2
InChIKeyANKVPOSVMKXHGA-UHFFFAOYSA-N
MW775.05 g/mol
LogP14.97
Rot. Bonds5

About CID 166902331

CID 166902331 (PubChem CID 166902331) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol.

Molecular Properties

Compound NameCID 166902331
PubChem CID166902331
Molecular FormulaC58H50N2
Molecular Weight775.05 g/mol
Exact Mass774.40
IUPAC Name—
SMILESC1=C2C(=CC3c4ccccc4C4(CCCCC4)C13)C1(CCCCC1)c1cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)ccc12
InChIInChI=1S/C58H50N2/c1-5-16-41(17-6-1)54-38-55(60-56(59-54)42-18-7-2-8-19-42)45-21-15-20-43(34-45)39-24-26-40(27-25-39)44-28-29-47-49-37-52-48(36-53(49)58(51(47)35-44)32-13-4-14-33-58)46-22-9-10-23-50(46)57(52)30-11-3-12-31-57/h1-2,5-10,15-29,34-38,48,52H,3-4,11-14,30-33H2
InChIKeyANKVPOSVMKXHGA-UHFFFAOYSA-N
XLogP14.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 166902631
CID 166902631
2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 166902608
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-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)cyclohexa-1,3-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166902480
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
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-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-3,5,6-triphenylpyrazine
CID 166901765

Frequently Asked Questions

What is the IUPAC name of CID 166902331?
The IUPAC name of CID 166902331 (CID 166902331) is not available.
What is the SMILES notation for CID 166902331?
The canonical SMILES for CID 166902331 is C1=C2C(=CC3c4ccccc4C4(CCCCC4)C13)C1(CCCCC1)c1cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)ccc12.
What is the InChIKey of CID 166902331?
The InChIKey is ANKVPOSVMKXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N2/c1-5-16-41(17-6-1)54-38-55(60-56(59-54)42-18-7-2-8-19-42)45-21-15-20-43(34-45)39-24-26-40(27-25-39)44-28-29-47-49-37-52-48(36-53(49)58(51(47)35-44)32-13-4-14-33-58)46-22-9-10-23-50(46)57(52)30-11-3-12-31-57/h1-2,5-10,15-29,34-38,48,52H,3-4,11-14,30-33H2.
What are the key properties of CID 166902331?
CID 166902331 has a molecular weight of 775.05 g/mol, XLogP of 14.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902331 is sourced from PubChem (CID 166902331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).