9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine

C66H68N2 — CID 20733877

IUPAC9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
SMILESC(=C1CCCCC1)c1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2c3ccccc3c(N(c3ccc(C=C4CCCCC4)cc3)c3ccc(C=C4CCCCC4)cc3)c3ccccc23)cc1
InChIInChI=1S/C66H68N2/c1-5-17-49(18-6-1)45-53-29-37-57(38-30-53)67(58-39-31-54(32-40-58)46-50-19-7-2-8-20-50)65-61-25-13-15-27-63(61)66(64-28-16-14-26-62(64)65)68(59-41-33-55(34-42-59)47-51-21-9-3-10-22-51)60-43-35-56(36-44-60)48-52-23-11-4-12-24-52/h13-16,25-48H,1-12,17-24H2
InChIKeyMRJCDDZDXABQGC-UHFFFAOYSA-N
MW889.28 g/mol
LogP20.32
Rot. Bonds10

About 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine (PubChem CID 20733877) has the molecular formula C66H68N2 and a molecular weight of 889.28 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
PubChem CID20733877
Molecular FormulaC66H68N2
Molecular Weight889.28 g/mol
Exact Mass888.54
IUPAC Name9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
SMILESC(=C1CCCCC1)c1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2c3ccccc3c(N(c3ccc(C=C4CCCCC4)cc3)c3ccc(C=C4CCCCC4)cc3)c3ccccc23)cc1
InChIInChI=1S/C66H68N2/c1-5-17-49(18-6-1)45-53-29-37-57(38-30-53)67(58-39-31-54(32-40-58)46-50-19-7-2-8-20-50)65-61-25-13-15-27-63(61)66(64-28-16-14-26-62(64)65)68(59-41-33-55(34-42-59)47-51-21-9-3-10-22-51)60-43-35-56(36-44-60)48-52-23-11-4-12-24-52/h13-16,25-48H,1-12,17-24H2
InChIKeyMRJCDDZDXABQGC-UHFFFAOYSA-N
XLogP20.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.28
LogP ≤ 520.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine with MolForge

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Related Compounds

9-N,20-N-bis[4-(cyclohexylidenemethyl)phenyl]-9-N,20-N-diphenylheptacyclo[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-tetradecaene-9,20-diamine
CID 20733566
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
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]-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)triphenylen-2-amine
CID 20733776
cyclohexylidenemethylbenzene
CID 4158813
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
6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
CID 20733792
N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 20733834
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine (CID 20733877) is 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine is C(=C1CCCCC1)c1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2c3ccccc3c(N(c3ccc(C=C4CCCCC4)cc3)c3ccc(C=C4CCCCC4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine?
The InChIKey is MRJCDDZDXABQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H68N2/c1-5-17-49(18-6-1)45-53-29-37-57(38-30-53)67(58-39-31-54(32-40-58)46-50-19-7-2-8-20-50)65-61-25-13-15-27-63(61)66(64-28-16-14-26-62(64)65)68(59-41-33-55(34-42-59)47-51-21-9-3-10-22-51)60-43-35-56(36-44-60)48-52-23-11-4-12-24-52/h13-16,25-48H,1-12,17-24H2.
What are the key properties of 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine has a molecular weight of 889.28 g/mol, XLogP of 20.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 20733877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).