N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine

C46H39N — CID 20733776

IUPACN-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
SMILESCc1ccc(N(c2ccc(/C=C/c3ccc(C=C4CCCCC4)cc3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C46H39N/c1-33-15-25-38(26-16-33)47(40-29-30-45-43-13-6-5-11-41(43)42-12-7-8-14-44(42)46(45)32-40)39-27-23-35(24-28-39)18-17-34-19-21-37(22-20-34)31-36-9-3-2-4-10-36/h5-8,11-32H,2-4,9-10H2,1H3/b18-17+
InChIKeyORIABZLWDSYICM-ISLYRVAYSA-N
MW605.83 g/mol
LogP13.44
Rot. Bonds6

About N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine

N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine (PubChem CID 20733776) has the molecular formula C46H39N and a molecular weight of 605.83 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
PubChem CID20733776
Molecular FormulaC46H39N
Molecular Weight605.83 g/mol
Exact Mass605.31
IUPAC NameN-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
SMILESCc1ccc(N(c2ccc(/C=C/c3ccc(C=C4CCCCC4)cc3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C46H39N/c1-33-15-25-38(26-16-33)47(40-29-30-45-43-13-6-5-11-41(43)42-12-7-8-14-44(42)46(45)32-40)39-27-23-35(24-28-39)18-17-34-19-21-37(22-20-34)31-36-9-3-2-4-10-36/h5-8,11-32H,2-4,9-10H2,1H3/b18-17+
InChIKeyORIABZLWDSYICM-ISLYRVAYSA-N
XLogP13.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2,3-dimethyl-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine
CID 20731073
14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine
CID 20733676
N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine
CID 20731057
6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
CID 20733792
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine
CID 20733639
9-N-[4-(cyclohexylidenemethyl)phenyl]-20-N,20-N-bis(4-methylphenyl)-9-N-phenyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733621
9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
CID 20733877
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
5-N,5-N,18-N,18-N-tetrakis(4-methylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010641
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine (CID 20733776) is N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine is Cc1ccc(N(c2ccc(/C=C/c3ccc(C=C4CCCCC4)cc3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine?
The InChIKey is ORIABZLWDSYICM-ISLYRVAYSA-N. The full InChI is InChI=1S/C46H39N/c1-33-15-25-38(26-16-33)47(40-29-30-45-43-13-6-5-11-41(43)42-12-7-8-14-44(42)46(45)32-40)39-27-23-35(24-28-39)18-17-34-19-21-37(22-20-34)31-36-9-3-2-4-10-36/h5-8,11-32H,2-4,9-10H2,1H3/b18-17+.
What are the key properties of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine?
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine has a molecular weight of 605.83 g/mol, XLogP of 13.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine is sourced from PubChem (CID 20733776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).