4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline

C62H49N7 — CID 163796534

IUPAC4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)nc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C62H49N7/c1-42-14-30-51(31-15-42)67(52-32-16-43(2)17-33-52)55-38-26-47(27-39-55)60-64-59(46-22-24-49(25-23-46)62-63-57-12-8-9-13-58(57)69(62)50-10-6-5-7-11-50)65-61(66-60)48-28-40-56(41-29-48)68(53-34-18-44(3)19-35-53)54-36-20-45(4)21-37-54/h5-41H,1-4H3
InChIKeyNBHKNFDVUZSKRR-UHFFFAOYSA-N
MW892.12 g/mol
LogP16.05
Rot. Bonds11

About 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 163796534) has the molecular formula C62H49N7 and a molecular weight of 892.12 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID163796534
Molecular FormulaC62H49N7
Molecular Weight892.12 g/mol
Exact Mass891.40
IUPAC Name4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)nc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C62H49N7/c1-42-14-30-51(31-15-42)67(52-32-16-43(2)17-33-52)55-38-26-47(27-39-55)60-64-59(46-22-24-49(25-23-46)62-63-57-12-8-9-13-58(57)69(62)50-10-6-5-7-11-50)65-61(66-60)48-28-40-56(41-29-48)68(53-34-18-44(3)19-35-53)54-36-20-45(4)21-37-54/h5-41H,1-4H3
InChIKeyNBHKNFDVUZSKRR-UHFFFAOYSA-N
XLogP16.05
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.12
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]aniline
CID 89467463
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline (CID 163796534) is 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-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]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)nc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is NBHKNFDVUZSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N7/c1-42-14-30-51(31-15-42)67(52-32-16-43(2)17-33-52)55-38-26-47(27-39-55)60-64-59(46-22-24-49(25-23-46)62-63-57-12-8-9-13-58(57)69(62)50-10-6-5-7-11-50)65-61(66-60)48-28-40-56(41-29-48)68(53-34-18-44(3)19-35-53)54-36-20-45(4)21-37-54/h5-41H,1-4H3.
What are the key properties of 4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 892.12 g/mol, XLogP of 16.05, 11 rotatable bonds, 0 hydrogen bond donors, and 7 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]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 163796534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).