2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene

C79H71N3 — CID 153458675

IUPAC2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene
SMILESCC1=CC2(CCCC2)CN1c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5cc(C)c(-c6ccccc6)cc5C)ccn4)cc3)cc(-c3ccccc3-c3ccc(N4CC5(C=C4C)CCCC5)cc3)c2)cc1
InChIInChI=1S/C79H71N3/c1-54-45-76(55(2)44-75(54)58-18-6-5-7-19-58)63-38-43-80-77(49-63)62-28-26-59(27-29-62)69-20-8-11-23-72(69)64-46-65(73-24-12-9-21-70(73)60-30-34-67(35-31-60)81-52-78(50-56(81)3)39-14-15-40-78)48-66(47-64)74-25-13-10-22-71(74)61-32-36-68(37-33-61)82-53-79(51-57(82)4)41-16-17-42-79/h5-13,18-38,43-51H,14-17,39-42,52-53H2,1-4H3
InChIKeyGQBJVRGQBLIXJI-UHFFFAOYSA-N
MW1062.46 g/mol
LogP21.27
Rot. Bonds11

About 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene

2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene (PubChem CID 153458675) has the molecular formula C79H71N3 and a molecular weight of 1062.46 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene
PubChem CID153458675
Molecular FormulaC79H71N3
Molecular Weight1062.46 g/mol
Exact Mass1061.56
IUPAC Name2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene
SMILESCC1=CC2(CCCC2)CN1c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5cc(C)c(-c6ccccc6)cc5C)ccn4)cc3)cc(-c3ccccc3-c3ccc(N4CC5(C=C4C)CCCC5)cc3)c2)cc1
InChIInChI=1S/C79H71N3/c1-54-45-76(55(2)44-75(54)58-18-6-5-7-19-58)63-38-43-80-77(49-63)62-28-26-59(27-29-62)69-20-8-11-23-72(69)64-46-65(73-24-12-9-21-70(73)60-30-34-67(35-31-60)81-52-78(50-56(81)3)39-14-15-40-78)48-66(47-64)74-25-13-10-22-71(74)61-32-36-68(37-33-61)82-53-79(51-57(82)4)41-16-17-42-79/h5-13,18-38,43-51H,14-17,39-42,52-53H2,1-4H3
InChIKeyGQBJVRGQBLIXJI-UHFFFAOYSA-N
XLogP21.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.46
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene with MolForge

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Related Compounds

4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine
CID 153458179
4-(2-methylphenyl)-2-phenylpyridine
CID 58435073
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458259
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165149093
2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
CID 139429234
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine
CID 167363047

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene?
The IUPAC name of 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene (CID 153458675) is 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene.
What is the SMILES notation for 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene?
The canonical SMILES for 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene is CC1=CC2(CCCC2)CN1c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5cc(C)c(-c6ccccc6)cc5C)ccn4)cc3)cc(-c3ccccc3-c3ccc(N4CC5(C=C4C)CCCC5)cc3)c2)cc1.
What is the InChIKey of 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene?
The InChIKey is GQBJVRGQBLIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H71N3/c1-54-45-76(55(2)44-75(54)58-18-6-5-7-19-58)63-38-43-80-77(49-63)62-28-26-59(27-29-62)69-20-8-11-23-72(69)64-46-65(73-24-12-9-21-70(73)60-30-34-67(35-31-60)81-52-78(50-56(81)3)39-14-15-40-78)48-66(47-64)74-25-13-10-22-71(74)61-32-36-68(37-33-61)82-53-79(51-57(82)4)41-16-17-42-79/h5-13,18-38,43-51H,14-17,39-42,52-53H2,1-4H3.
What are the key properties of 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene?
2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene has a molecular weight of 1062.46 g/mol, XLogP of 21.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 153458675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).