2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline

C66H76N2 — CID 20734397

IUPAC2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline
SMILESCc1c(C)c(C)c(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5c(C)c(C)c(C)c(C)c5C)c5c(C)c(C)c(C)c(C)c5C)cc4)cc3)cc2)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C66H76N2/c1-37-41(5)49(13)63(50(14)42(37)6)67(64-51(15)43(7)38(2)44(8)52(64)16)61-33-29-59(30-34-61)27-25-57-21-23-58(24-22-57)26-28-60-31-35-62(36-32-60)68(65-53(17)45(9)39(3)46(10)54(65)18)66-55(19)47(11)40(4)48(12)56(66)20/h21-36H,1-20H3/b27-25+,28-26+
InChIKeyQRUUIDNYEWKFKR-NBHCHVEOSA-N
MW897.35 g/mol
LogP19.14
Rot. Bonds10

About 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline

2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline (PubChem CID 20734397) has the molecular formula C66H76N2 and a molecular weight of 897.35 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline
PubChem CID20734397
Molecular FormulaC66H76N2
Molecular Weight897.35 g/mol
Exact Mass896.60
IUPAC Name2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline
SMILESCc1c(C)c(C)c(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5c(C)c(C)c(C)c(C)c5C)c5c(C)c(C)c(C)c(C)c5C)cc4)cc3)cc2)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C66H76N2/c1-37-41(5)49(13)63(50(14)42(37)6)67(64-51(15)43(7)38(2)44(8)52(64)16)61-33-29-59(30-34-61)27-25-57-21-23-58(24-22-57)26-28-60-31-35-62(36-32-60)68(65-53(17)45(9)39(3)46(10)54(65)18)66-55(19)47(11)40(4)48(12)56(66)20/h21-36H,1-20H3/b27-25+,28-26+
InChIKeyQRUUIDNYEWKFKR-NBHCHVEOSA-N
XLogP19.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.35
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline (CID 20734397) is 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline is Cc1c(C)c(C)c(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5c(C)c(C)c(C)c(C)c5C)c5c(C)c(C)c(C)c(C)c5C)cc4)cc3)cc2)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline?
The InChIKey is QRUUIDNYEWKFKR-NBHCHVEOSA-N. The full InChI is InChI=1S/C66H76N2/c1-37-41(5)49(13)63(50(14)42(37)6)67(64-51(15)43(7)38(2)44(8)52(64)16)61-33-29-59(30-34-61)27-25-57-21-23-58(24-22-57)26-28-60-31-35-62(36-32-60)68(65-53(17)45(9)39(3)46(10)54(65)18)66-55(19)47(11)40(4)48(12)56(66)20/h21-36H,1-20H3/b27-25+,28-26+.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline?
2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline has a molecular weight of 897.35 g/mol, XLogP of 19.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline is sourced from PubChem (CID 20734397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).