6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine

C58H50N2 — CID 20733792

IUPAC6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
SMILESCc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c(c2)-c2ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C58H50N2/c1-40-17-25-45(26-18-40)59(46-27-19-41(2)20-28-46)50-34-36-56-57(38-50)54-16-10-9-14-52(54)51-13-7-8-15-53(51)55-35-33-49(39-58(55)56)60(47-29-21-42(3)22-30-47)48-31-23-44(24-32-48)37-43-11-5-4-6-12-43/h7-10,13-39H,4-6,11-12H2,1-3H3/b52-51-,55-53-,57-54-,58-56-
InChIKeyBASHWYWLMYQABK-BXPWLCDNSA-N
MW775.05 g/mol
LogP16.88
Rot. Bonds7

About 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine

6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine (PubChem CID 20733792) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol. Its IUPAC name is 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
PubChem CID20733792
Molecular FormulaC58H50N2
Molecular Weight775.05 g/mol
Exact Mass774.40
IUPAC Name6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
SMILESCc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c(c2)-c2ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C58H50N2/c1-40-17-25-45(26-18-40)59(46-27-19-41(2)20-28-46)50-34-36-56-57(38-50)54-16-10-9-14-52(54)51-13-7-8-15-53(51)55-35-33-49(39-58(55)56)60(47-29-21-42(3)22-30-47)48-31-23-44(24-32-48)37-43-11-5-4-6-12-43/h7-10,13-39H,4-6,11-12H2,1-3H3/b52-51-,55-53-,57-54-,58-56-
InChIKeyBASHWYWLMYQABK-BXPWLCDNSA-N
XLogP16.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine with MolForge

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Related Compounds

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-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
CID 20733776
N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 20733834
2-N,6-N-bis[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-10-N-[4-[(E)-2-[4-(cyclohexylmethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N-triphenyltetraphenylene-2,6,10-triamine
CID 20733709
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
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
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
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,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
CID 20733877
N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 20733637
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
cyclohexylidenemethylbenzene
CID 4158813

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine?
The IUPAC name of 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine (CID 20733792) is 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine.
What is the SMILES notation for 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine?
The canonical SMILES for 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine is Cc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c(c2)-c2ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc2-c2ccccc2-c2ccccc2-3)cc1.
What is the InChIKey of 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine?
The InChIKey is BASHWYWLMYQABK-BXPWLCDNSA-N. The full InChI is InChI=1S/C58H50N2/c1-40-17-25-45(26-18-40)59(46-27-19-41(2)20-28-46)50-34-36-56-57(38-50)54-16-10-9-14-52(54)51-13-7-8-15-53(51)55-35-33-49(39-58(55)56)60(47-29-21-42(3)22-30-47)48-31-23-44(24-32-48)37-43-11-5-4-6-12-43/h7-10,13-39H,4-6,11-12H2,1-3H3/b52-51-,55-53-,57-54-,58-56-.
What are the key properties of 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine?
6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine has a molecular weight of 775.05 g/mol, XLogP of 16.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine is sourced from PubChem (CID 20733792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).