N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline

C60H64N2 — CID 90305123

IUPACN-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
SMILESCCCCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)(C)CCCC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H64N2/c1-7-9-45-59(3,4)51-33-41-57(42-34-51)61(53-17-13-11-14-18-53)55-37-29-49(30-38-55)27-25-47-21-23-48(24-22-47)26-28-50-31-39-56(40-32-50)62(54-19-15-12-16-20-54)58-43-35-52(36-44-58)60(5,6)46-10-8-2/h11-44H,7-10,45-46H2,1-6H3/b27-25+,28-26+
InChIKeyFXNFCLJBWUKPKQ-NBHCHVEOSA-N
MW813.19 g/mol
LogP17.90
Rot. Bonds18

About N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline

N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline (PubChem CID 90305123) has the molecular formula C60H64N2 and a molecular weight of 813.19 g/mol. Its IUPAC name is N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
PubChem CID90305123
Molecular FormulaC60H64N2
Molecular Weight813.19 g/mol
Exact Mass812.51
IUPAC NameN-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
SMILESCCCCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)(C)CCCC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H64N2/c1-7-9-45-59(3,4)51-33-41-57(42-34-51)61(53-17-13-11-14-18-53)55-37-29-49(30-38-55)27-25-47-21-23-48(24-22-47)26-28-50-31-39-56(40-32-50)62(54-19-15-12-16-20-54)58-43-35-52(36-44-58)60(5,6)46-10-8-2/h11-44H,7-10,45-46H2,1-6H3/b27-25+,28-26+
InChIKeyFXNFCLJBWUKPKQ-NBHCHVEOSA-N
XLogP17.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.19
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 89345012
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline?
The IUPAC name of N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline (CID 90305123) is N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline is CCCCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)(C)CCCC)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline?
The InChIKey is FXNFCLJBWUKPKQ-NBHCHVEOSA-N. The full InChI is InChI=1S/C60H64N2/c1-7-9-45-59(3,4)51-33-41-57(42-34-51)61(53-17-13-11-14-18-53)55-37-29-49(30-38-55)27-25-47-21-23-48(24-22-47)26-28-50-31-39-56(40-32-50)62(54-19-15-12-16-20-54)58-43-35-52(36-44-58)60(5,6)46-10-8-2/h11-44H,7-10,45-46H2,1-6H3/b27-25+,28-26+.
What are the key properties of N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline?
N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline has a molecular weight of 813.19 g/mol, XLogP of 17.90, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline is sourced from PubChem (CID 90305123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).