4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline

C92H69N3 — CID 59307663

IUPAC4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc7ccccc7c6)ccc5c34)cc2)cc1
InChIInChI=1S/C92H69N3/c1-62-24-42-77(43-25-62)94(78-44-26-63(2)27-45-78)82-52-36-69(37-53-82)87-61-86(68-17-8-5-9-18-68)90(70-38-54-83(55-39-70)95(79-46-28-64(3)29-47-79)80-48-30-65(4)31-49-80)92-85-57-40-73(67-34-50-81(51-35-67)93(75-20-10-6-11-21-75)76-22-12-7-13-23-76)59-89(85)88-60-74(41-56-84(88)91(87)92)72-33-32-66-16-14-15-19-71(66)58-72/h5-61H,1-4H3
InChIKeyBOPLZEBBMISJDK-UHFFFAOYSA-N
MW1216.58 g/mol
LogP26.28
Rot. Bonds14

About 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 59307663) has the molecular formula C92H69N3 and a molecular weight of 1216.58 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID59307663
Molecular FormulaC92H69N3
Molecular Weight1216.58 g/mol
Exact Mass1215.55
IUPAC Name4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc7ccccc7c6)ccc5c34)cc2)cc1
InChIInChI=1S/C92H69N3/c1-62-24-42-77(43-25-62)94(78-44-26-63(2)27-45-78)82-52-36-69(37-53-82)87-61-86(68-17-8-5-9-18-68)90(70-38-54-83(55-39-70)95(79-46-28-64(3)29-47-79)80-48-30-65(4)31-49-80)92-85-57-40-73(67-34-50-81(51-35-67)93(75-20-10-6-11-21-75)76-22-12-7-13-23-76)59-89(85)88-60-74(41-56-84(88)91(87)92)72-33-32-66-16-14-15-19-71(66)58-72/h5-61H,1-4H3
InChIKeyBOPLZEBBMISJDK-UHFFFAOYSA-N
XLogP26.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001216.58
LogP ≤ 526.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
4-(7-naphthalen-1-yl-3,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-2-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 161212019
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline (CID 59307663) is 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc7ccccc7c6)ccc5c34)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is BOPLZEBBMISJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H69N3/c1-62-24-42-77(43-25-62)94(78-44-26-63(2)27-45-78)82-52-36-69(37-53-82)87-61-86(68-17-8-5-9-18-68)90(70-38-54-83(55-39-70)95(79-46-28-64(3)29-47-79)80-48-30-65(4)31-49-80)92-85-57-40-73(67-34-50-81(51-35-67)93(75-20-10-6-11-21-75)76-22-12-7-13-23-76)59-89(85)88-60-74(41-56-84(88)91(87)92)72-33-32-66-16-14-15-19-71(66)58-72/h5-61H,1-4H3.
What are the key properties of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 1216.58 g/mol, XLogP of 26.28, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59307663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).