1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine

C68H70N4 — CID 89264560

IUPAC1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine
SMILESC(=CC1CCCCC1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)C4CCC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CC4)cc3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C68H70N4/c1-7-19-53(20-8-1)31-32-54-33-39-62(40-34-54)70(59-25-13-4-14-26-59)65-45-49-67(50-46-65)72(61-29-17-6-18-30-61)68-51-47-66(48-52-68)71(60-27-15-5-16-28-60)64-43-37-56(38-44-64)55-35-41-63(42-36-55)69(57-21-9-2-10-22-57)58-23-11-3-12-24-58/h2-3,5-6,9-12,15-18,21-24,27-36,39-42,45-53,56,59,64H,1,4,7-8,13-14,19-20,25-26,37-38,43-44H2
InChIKeyNCYXRTWHTQPZSI-UHFFFAOYSA-N
MW943.34 g/mol
LogP19.56
Rot. Bonds15

About 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine

1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine (PubChem CID 89264560) has the molecular formula C68H70N4 and a molecular weight of 943.34 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine
PubChem CID89264560
Molecular FormulaC68H70N4
Molecular Weight943.34 g/mol
Exact Mass942.56
IUPAC Name1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine
SMILESC(=CC1CCCCC1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)C4CCC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CC4)cc3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C68H70N4/c1-7-19-53(20-8-1)31-32-54-33-39-62(40-34-54)70(59-25-13-4-14-26-59)65-45-49-67(50-46-65)72(61-29-17-6-18-30-61)68-51-47-66(48-52-68)71(60-27-15-5-16-28-60)64-43-37-56(38-44-64)55-35-41-63(42-36-55)69(57-21-9-2-10-22-57)58-23-11-3-12-24-58/h2-3,5-6,9-12,15-18,21-24,27-36,39-42,45-53,56,59,64H,1,4,7-8,13-14,19-20,25-26,37-38,43-44H2
InChIKeyNCYXRTWHTQPZSI-UHFFFAOYSA-N
XLogP19.56
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.34
LogP ≤ 519.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine (CID 89264560) is 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine is C(=CC1CCCCC1)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)C4CCC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CC4)cc3)cc2)C2CCCCC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine?
The InChIKey is NCYXRTWHTQPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H70N4/c1-7-19-53(20-8-1)31-32-54-33-39-62(40-34-54)70(59-25-13-4-14-26-59)65-45-49-67(50-46-65)72(61-29-17-6-18-30-61)68-51-47-66(48-52-68)71(60-27-15-5-16-28-60)64-43-37-56(38-44-64)55-35-41-63(42-36-55)69(57-21-9-2-10-22-57)58-23-11-3-12-24-58/h2-3,5-6,9-12,15-18,21-24,27-36,39-42,45-53,56,59,64H,1,4,7-8,13-14,19-20,25-26,37-38,43-44H2.
What are the key properties of 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine?
1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine has a molecular weight of 943.34 g/mol, XLogP of 19.56, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 89264560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).