6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine

C142H109N5O — CID 159324876

IUPAC6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine
SMILESCC(/C=C/c1cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc(N(c2ccc(-c3ccccn3)cc2)c2cccc3cc(C=C(c4ccccc4)c4ccccc4)ccc23)c1)=C(c1ccccc1)c1ccccc1.COc1ccc(/C(=C/c2ccc(N(c3ccc(/C(=C/C=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccc(-c4cccc(C)n4)cc3)c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C76H57N3.C66H52N2O/c1-56(76(62-28-12-4-13-29-62)63-30-14-5-15-31-63)41-42-57-51-66(64-32-22-38-70(54-64)78(67-34-16-6-17-35-67)68-36-18-7-19-37-68)55-71(52-57)79(69-46-44-61(45-47-69)74-39-20-21-49-77-74)75-40-23-33-65-50-58(43-48-72(65)75)53-73(59-24-8-2-9-25-59)60-26-10-3-11-27-60;1-47-26-28-53(29-27-47)64(54-34-41-59(69-3)42-35-54)46-56-36-45-66(63-24-14-13-23-62(56)63)68(58-39-32-55(33-40-58)65-25-15-16-48(2)67-65)57-37-30-52(31-38-57)61(51-21-11-6-12-22-51)44-43-60(49-17-7-4-8-18-49)50-19-9-5-10-20-50/h2-55H,1H3;4-46H,1-3H3/b42-41+;61-44+,64-46+
InChIKeyLEFQJBBEKFYDJX-GSJSZLJWSA-N
MW1901.47 g/mol
LogP37.78
Rot. Bonds28

About 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine

6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine (PubChem CID 159324876) has the molecular formula C142H109N5O and a molecular weight of 1901.47 g/mol. Its IUPAC name is 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine
PubChem CID159324876
Molecular FormulaC142H109N5O
Molecular Weight1901.47 g/mol
Exact Mass1899.86
IUPAC Name6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine
SMILESCC(/C=C/c1cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc(N(c2ccc(-c3ccccn3)cc2)c2cccc3cc(C=C(c4ccccc4)c4ccccc4)ccc23)c1)=C(c1ccccc1)c1ccccc1.COc1ccc(/C(=C/c2ccc(N(c3ccc(/C(=C/C=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccc(-c4cccc(C)n4)cc3)c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C76H57N3.C66H52N2O/c1-56(76(62-28-12-4-13-29-62)63-30-14-5-15-31-63)41-42-57-51-66(64-32-22-38-70(54-64)78(67-34-16-6-17-35-67)68-36-18-7-19-37-68)55-71(52-57)79(69-46-44-61(45-47-69)74-39-20-21-49-77-74)75-40-23-33-65-50-58(43-48-72(65)75)53-73(59-24-8-2-9-25-59)60-26-10-3-11-27-60;1-47-26-28-53(29-27-47)64(54-34-41-59(69-3)42-35-54)46-56-36-45-66(63-24-14-13-23-62(56)63)68(58-39-32-55(33-40-58)65-25-15-16-48(2)67-65)57-37-30-52(31-38-57)61(51-21-11-6-12-22-51)44-43-60(49-17-7-4-8-18-49)50-19-9-5-10-20-50/h2-55H,1H3;4-46H,1-3H3/b42-41+;61-44+,64-46+
InChIKeyLEFQJBBEKFYDJX-GSJSZLJWSA-N
XLogP37.78
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001901.47
LogP ≤ 537.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine?
The IUPAC name of 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine (CID 159324876) is 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine?
The canonical SMILES for 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine is CC(/C=C/c1cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc(N(c2ccc(-c3ccccn3)cc2)c2cccc3cc(C=C(c4ccccc4)c4ccccc4)ccc23)c1)=C(c1ccccc1)c1ccccc1.COc1ccc(/C(=C/c2ccc(N(c3ccc(/C(=C/C=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccc(-c4cccc(C)n4)cc3)c3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine?
The InChIKey is LEFQJBBEKFYDJX-GSJSZLJWSA-N. The full InChI is InChI=1S/C76H57N3.C66H52N2O/c1-56(76(62-28-12-4-13-29-62)63-30-14-5-15-31-63)41-42-57-51-66(64-32-22-38-70(54-64)78(67-34-16-6-17-35-67)68-36-18-7-19-37-68)55-71(52-57)79(69-46-44-61(45-47-69)74-39-20-21-49-77-74)75-40-23-33-65-50-58(43-48-72(65)75)53-73(59-24-8-2-9-25-59)60-26-10-3-11-27-60;1-47-26-28-53(29-27-47)64(54-34-41-59(69-3)42-35-54)46-56-36-45-66(63-24-14-13-23-62(56)63)68(58-39-32-55(33-40-58)65-25-15-16-48(2)67-65)57-37-30-52(31-38-57)61(51-21-11-6-12-22-51)44-43-60(49-17-7-4-8-18-49)50-19-9-5-10-20-50/h2-55H,1H3;4-46H,1-3H3/b42-41+;61-44+,64-46+.
What are the key properties of 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine?
6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine has a molecular weight of 1901.47 g/mol, XLogP of 37.78, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 159324876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).