4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline

C70H64N4 — CID 19708503

IUPAC4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline
SMILESCc1cc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccc(Nc8ccccc8)c(C)c7)cc6C)cc5)CCCCC4)cc3)c(C)c2)ccc1Nc1ccccc1
InChIInChI=1S/C70H64N4/c1-50-46-54(28-40-66(50)71-60-20-10-5-11-21-60)56-30-42-68(52(3)48-56)73(62-24-14-7-15-25-62)64-36-32-58(33-37-64)70(44-18-9-19-45-70)59-34-38-65(39-35-59)74(63-26-16-8-17-27-63)69-43-31-57(49-53(69)4)55-29-41-67(51(2)47-55)72-61-22-12-6-13-23-61/h5-8,10-17,20-43,46-49,71-72H,9,18-19,44-45H2,1-4H3
InChIKeyHYTSMJIEXOSEBZ-UHFFFAOYSA-N
MW961.31 g/mol
LogP19.93
Rot. Bonds14

About 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline

4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline (PubChem CID 19708503) has the molecular formula C70H64N4 and a molecular weight of 961.31 g/mol. Its IUPAC name is 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline
PubChem CID19708503
Molecular FormulaC70H64N4
Molecular Weight961.31 g/mol
Exact Mass960.51
IUPAC Name4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline
SMILESCc1cc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccc(Nc8ccccc8)c(C)c7)cc6C)cc5)CCCCC4)cc3)c(C)c2)ccc1Nc1ccccc1
InChIInChI=1S/C70H64N4/c1-50-46-54(28-40-66(50)71-60-20-10-5-11-21-60)56-30-42-68(52(3)48-56)73(62-24-14-7-15-25-62)64-36-32-58(33-37-64)70(44-18-9-19-45-70)59-34-38-65(39-35-59)74(63-26-16-8-17-27-63)69-43-31-57(49-53(69)4)55-29-41-67(51(2)47-55)72-61-22-12-6-13-23-61/h5-8,10-17,20-43,46-49,71-72H,9,18-19,44-45H2,1-4H3
InChIKeyHYTSMJIEXOSEBZ-UHFFFAOYSA-N
XLogP19.93
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.31
LogP ≤ 519.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline?
The IUPAC name of 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline (CID 19708503) is 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline.
What is the SMILES notation for 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline?
The canonical SMILES for 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline is Cc1cc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccc(Nc8ccccc8)c(C)c7)cc6C)cc5)CCCCC4)cc3)c(C)c2)ccc1Nc1ccccc1.
What is the InChIKey of 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline?
The InChIKey is HYTSMJIEXOSEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H64N4/c1-50-46-54(28-40-66(50)71-60-20-10-5-11-21-60)56-30-42-68(52(3)48-56)73(62-24-14-7-15-25-62)64-36-32-58(33-37-64)70(44-18-9-19-45-70)59-34-38-65(39-35-59)74(63-26-16-8-17-27-63)69-43-31-57(49-53(69)4)55-29-41-67(51(2)47-55)72-61-22-12-6-13-23-61/h5-8,10-17,20-43,46-49,71-72H,9,18-19,44-45H2,1-4H3.
What are the key properties of 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline?
4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline has a molecular weight of 961.31 g/mol, XLogP of 19.93, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-[1-[4-(N-[4-(4-anilino-3-methylphenyl)-2-methylphenyl]anilino)phenyl]cyclohexyl]phenyl]anilino)-3-methylphenyl]-2-methyl-N-phenylaniline is sourced from PubChem (CID 19708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).