12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine

C128H110N4 — CID 157290483

IUPAC12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine
SMILESCC(C)c1cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc2c(C(C)C)cc(/C=C/c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)cc12.Cc1cccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(/C=C/c3cc4c5ccccc5c(N(c5ccc(C(C)(C)C)cc5)c5cccc(C)c5)cc4c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C64H52N2.C64H58N2/c1-43(2)59-37-46(28-27-45-29-33-53(34-30-45)65(54-35-31-47-15-5-7-19-51(47)39-54)63-25-13-21-49-17-9-11-23-57(49)63)38-61-60(44(3)4)41-56(42-62(59)61)66(55-36-32-48-16-6-8-20-52(48)40-55)64-26-14-22-50-18-10-12-24-58(50)64;1-43-17-15-19-51(39-43)65(49-34-30-47(31-35-49)63(3,4)5)61-38-29-45(53-21-10-13-25-57(53)61)27-28-46-41-59-56-24-12-14-26-58(56)62(42-60(59)55-23-11-9-22-54(46)55)66(52-20-16-18-44(2)40-52)50-36-32-48(33-37-50)64(6,7)8/h5-44H,1-4H3;9-42H,1-8H3/b2*28-27+
InChIKeyBASZEYRDKTXFBA-BZPFFPCBSA-N
MW1704.32 g/mol
LogP37.43
Rot. Bonds18

About 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine

12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine (PubChem CID 157290483) has the molecular formula C128H110N4 and a molecular weight of 1704.32 g/mol. Its IUPAC name is 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine.

Molecular Properties

Compound Name12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine
PubChem CID157290483
Molecular FormulaC128H110N4
Molecular Weight1704.32 g/mol
Exact Mass1702.87
IUPAC Name12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine
SMILESCC(C)c1cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc2c(C(C)C)cc(/C=C/c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)cc12.Cc1cccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(/C=C/c3cc4c5ccccc5c(N(c5ccc(C(C)(C)C)cc5)c5cccc(C)c5)cc4c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C64H52N2.C64H58N2/c1-43(2)59-37-46(28-27-45-29-33-53(34-30-45)65(54-35-31-47-15-5-7-19-51(47)39-54)63-25-13-21-49-17-9-11-23-57(49)63)38-61-60(44(3)4)41-56(42-62(59)61)66(55-36-32-48-16-6-8-20-52(48)40-55)64-26-14-22-50-18-10-12-24-58(50)64;1-43-17-15-19-51(39-43)65(49-34-30-47(31-35-49)63(3,4)5)61-38-29-45(53-21-10-13-25-57(53)61)27-28-46-41-59-56-24-12-14-26-58(56)62(42-60(59)55-23-11-9-22-54(46)55)66(52-20-16-18-44(2)40-52)50-36-32-48(33-37-50)64(6,7)8/h5-44H,1-4H3;9-42H,1-8H3/b2*28-27+
InChIKeyBASZEYRDKTXFBA-BZPFFPCBSA-N
XLogP37.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001704.32
LogP ≤ 537.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine with MolForge

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Related Compounds

12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine
CID 59412935
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
N-(4-tert-butylphenyl)-N-[4-[2-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 91133067
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
CID 89068086
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
N,N-bis(3-methylphenyl)chrysen-6-amine
CID 23520689
3-methyl-N-(3-methylphenyl)-N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]aniline;3-methyl-N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylaniline;4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-N,N-diphenylaniline;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158523773
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592

Frequently Asked Questions

What is the IUPAC name of 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine?
The IUPAC name of 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine (CID 157290483) is 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine.
What is the SMILES notation for 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine?
The canonical SMILES for 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine is CC(C)c1cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc2c(C(C)C)cc(/C=C/c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)cc12.Cc1cccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(/C=C/c3cc4c5ccccc5c(N(c5ccc(C(C)(C)C)cc5)c5cccc(C)c5)cc4c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine?
The InChIKey is BASZEYRDKTXFBA-BZPFFPCBSA-N. The full InChI is InChI=1S/C64H52N2.C64H58N2/c1-43(2)59-37-46(28-27-45-29-33-53(34-30-45)65(54-35-31-47-15-5-7-19-51(47)39-54)63-25-13-21-49-17-9-11-23-57(49)63)38-61-60(44(3)4)41-56(42-62(59)61)66(55-36-32-48-16-6-8-20-52(48)40-55)64-26-14-22-50-18-10-12-24-58(50)64;1-43-17-15-19-51(39-43)65(49-34-30-47(31-35-49)63(3,4)5)61-38-29-45(53-21-10-13-25-57(53)61)27-28-46-41-59-56-24-12-14-26-58(56)62(42-60(59)55-23-11-9-22-54(46)55)66(52-20-16-18-44(2)40-52)50-36-32-48(33-37-50)64(6,7)8/h5-44H,1-4H3;9-42H,1-8H3/b2*28-27+.
What are the key properties of 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine?
12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine has a molecular weight of 1704.32 g/mol, XLogP of 37.43, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-6-[(E)-2-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]ethenyl]-4,8-di(propan-2-yl)naphthalen-2-amine is sourced from PubChem (CID 157290483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).