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

C76H62N4 — CID 100923468

IUPAC3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8cccc(C)c8)cc7)cc6)c6cccc(C)c6)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C76H62N4/c1-55-15-11-23-73(51-55)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)61-31-43-69(44-32-61)79(75-25-13-17-57(3)53-75)71-47-35-63(36-48-71)64-37-49-72(50-38-64)80(76-26-14-18-58(4)54-76)70-45-33-62(34-46-70)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)74-24-12-16-56(2)52-74/h5-54H,1-4H3
InChIKeyIZYCQSXXVBJYNR-UHFFFAOYSA-N
MW1031.36 g/mol
LogP21.80
Rot. Bonds15

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

3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline (PubChem CID 100923468) has the molecular formula C76H62N4 and a molecular weight of 1031.36 g/mol. Its IUPAC name is 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
PubChem CID100923468
Molecular FormulaC76H62N4
Molecular Weight1031.36 g/mol
Exact Mass1030.50
IUPAC Name3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8cccc(C)c8)cc7)cc6)c6cccc(C)c6)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C76H62N4/c1-55-15-11-23-73(51-55)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)61-31-43-69(44-32-61)79(75-25-13-17-57(3)53-75)71-47-35-63(36-48-71)64-37-49-72(50-38-64)80(76-26-14-18-58(4)54-76)70-45-33-62(34-46-70)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)74-24-12-16-56(2)52-74/h5-54H,1-4H3
InChIKeyIZYCQSXXVBJYNR-UHFFFAOYSA-N
XLogP21.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.36
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline (CID 100923468) is 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8cccc(C)c8)cc7)cc6)c6cccc(C)c6)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
The InChIKey is IZYCQSXXVBJYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N4/c1-55-15-11-23-73(51-55)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)61-31-43-69(44-32-61)79(75-25-13-17-57(3)53-75)71-47-35-63(36-48-71)64-37-49-72(50-38-64)80(76-26-14-18-58(4)54-76)70-45-33-62(34-46-70)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)74-24-12-16-56(2)52-74/h5-54H,1-4H3.
What are the key properties of 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline?
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline has a molecular weight of 1031.36 g/mol, XLogP of 21.80, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 100923468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).