N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine

C80H86N2O2 — CID 144919227

IUPACN-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine
SMILESC=C(c1ccc2ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc4c3oc3c(C5CCCCC5)cccc34)c3cc/c(=C/C)c1c23)N(c1ccc(C(CCC)CCC)cc1)c1cccc2c1oc1c(CCCCCCCC)cccc12
InChIInChI=1S/C80H86N2O2/c1-6-10-11-12-13-16-31-62-32-21-34-67-69-36-23-38-73(79(69)83-77(62)67)81(63-47-40-58(41-48-63)56(25-7-2)26-8-3)54(5)65-51-45-61-46-53-72(71-52-44-55(9-4)75(65)76(61)71)82(64-49-42-59(43-50-64)57-27-17-14-18-28-57)74-39-24-37-70-68-35-22-33-66(78(68)84-80(70)74)60-29-19-15-20-30-60/h9,21-24,32-53,56-57,60H,5-8,10-20,25-31H2,1-4H3/b55-9-
InChIKeyHJJRRZVCMKNNHD-ITOWHUIBSA-N
MW1107.58 g/mol
LogP24.27
Rot. Bonds21

About N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine

N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine (PubChem CID 144919227) has the molecular formula C80H86N2O2 and a molecular weight of 1107.58 g/mol. Its IUPAC name is N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine
PubChem CID144919227
Molecular FormulaC80H86N2O2
Molecular Weight1107.58 g/mol
Exact Mass1106.67
IUPAC NameN-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine
SMILESC=C(c1ccc2ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc4c3oc3c(C5CCCCC5)cccc34)c3cc/c(=C/C)c1c23)N(c1ccc(C(CCC)CCC)cc1)c1cccc2c1oc1c(CCCCCCCC)cccc12
InChIInChI=1S/C80H86N2O2/c1-6-10-11-12-13-16-31-62-32-21-34-67-69-36-23-38-73(79(69)83-77(62)67)81(63-47-40-58(41-48-63)56(25-7-2)26-8-3)54(5)65-51-45-61-46-53-72(71-52-44-55(9-4)75(65)76(61)71)82(64-49-42-59(43-50-64)57-27-17-14-18-28-57)74-39-24-37-70-68-35-22-33-66(78(68)84-80(70)74)60-29-19-15-20-30-60/h9,21-24,32-53,56-57,60H,5-8,10-20,25-31H2,1-4H3/b55-9-
InChIKeyHJJRRZVCMKNNHD-ITOWHUIBSA-N
XLogP24.27
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.58
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine
CID 144919225
6-cyclopentyl-N-[[(9Z)-9-ethylidene-6-methylphenalen-1-yl]methyl]-N-(6-methyl-5-methylidenehept-1-en-2-yl)dibenzofuran-4-amine
CID 144918694
1-N-(4-tert-butylphenyl)-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N-[4-(1-methylcyclobutyl)phenyl]pyrene-1,6-diamine
CID 126699108
1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-ethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-ethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis(6-methyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis(6-propyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 157446420
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 162104018
6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine
CID 144918672
1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 159264056
1-N,6-N-bis(4-cyclohexylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158323347
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine
CID 162059029
N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 163956670

Frequently Asked Questions

What is the IUPAC name of N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine?
The IUPAC name of N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine (CID 144919227) is N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine.
What is the SMILES notation for N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine?
The canonical SMILES for N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine is C=C(c1ccc2ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc4c3oc3c(C5CCCCC5)cccc34)c3cc/c(=C/C)c1c23)N(c1ccc(C(CCC)CCC)cc1)c1cccc2c1oc1c(CCCCCCCC)cccc12.
What is the InChIKey of N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine?
The InChIKey is HJJRRZVCMKNNHD-ITOWHUIBSA-N. The full InChI is InChI=1S/C80H86N2O2/c1-6-10-11-12-13-16-31-62-32-21-34-67-69-36-23-38-73(79(69)83-77(62)67)81(63-47-40-58(41-48-63)56(25-7-2)26-8-3)54(5)65-51-45-61-46-53-72(71-52-44-55(9-4)75(65)76(61)71)82(64-49-42-59(43-50-64)57-27-17-14-18-28-57)74-39-24-37-70-68-35-22-33-66(78(68)84-80(70)74)60-29-19-15-20-30-60/h9,21-24,32-53,56-57,60H,5-8,10-20,25-31H2,1-4H3/b55-9-.
What are the key properties of N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine?
N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine has a molecular weight of 1107.58 g/mol, XLogP of 24.27, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine is sourced from PubChem (CID 144919227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).