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

C99H78N6 — CID 58251528

IUPACN-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccccc3-c3ccc(-c4nc(-c5ccc(-c6ccccc6-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)cc5)nc(-c5ccc(-c6ccccc6-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)cc5)n4)cc3)cc2)cc1
InChIInChI=1S/C99H78N6/c1-67-19-49-82(50-20-67)103(83-51-21-68(2)22-52-83)88-61-43-76(44-62-88)94-16-10-7-13-91(94)73-31-37-79(38-32-73)97-100-98(80-39-33-74(34-40-80)92-14-8-11-17-95(92)77-45-63-89(64-46-77)104(84-53-23-69(3)24-54-84)85-55-25-70(4)26-56-85)102-99(101-97)81-41-35-75(36-42-81)93-15-9-12-18-96(93)78-47-65-90(66-48-78)105(86-57-27-71(5)28-58-86)87-59-29-72(6)30-60-87/h7-66H,1-6H3
InChIKeyAZLBUMPBRGWYGI-UHFFFAOYSA-N
MW1351.75 g/mol
LogP27.13
Rot. Bonds18

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

N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 58251528) has the molecular formula C99H78N6 and a molecular weight of 1351.75 g/mol. Its IUPAC name is N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID58251528
Molecular FormulaC99H78N6
Molecular Weight1351.75 g/mol
Exact Mass1350.63
IUPAC NameN-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccccc3-c3ccc(-c4nc(-c5ccc(-c6ccccc6-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)cc5)nc(-c5ccc(-c6ccccc6-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)cc5)n4)cc3)cc2)cc1
InChIInChI=1S/C99H78N6/c1-67-19-49-82(50-20-67)103(83-51-21-68(2)22-52-83)88-61-43-76(44-62-88)94-16-10-7-13-91(94)73-31-37-79(38-32-73)97-100-98(80-39-33-74(34-40-80)92-14-8-11-17-95(92)77-45-63-89(64-46-77)104(84-53-23-69(3)24-54-84)85-55-25-70(4)26-56-85)102-99(101-97)81-41-35-75(36-42-81)93-15-9-12-18-96(93)78-47-65-90(66-48-78)105(86-57-27-71(5)28-58-86)87-59-29-72(6)30-60-87/h7-66H,1-6H3
InChIKeyAZLBUMPBRGWYGI-UHFFFAOYSA-N
XLogP27.13
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.75
LogP ≤ 527.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline 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 N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 58251528) is N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccccc3-c3ccc(-c4nc(-c5ccc(-c6ccccc6-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)cc5)nc(-c5ccc(-c6ccccc6-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)cc5)n4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is AZLBUMPBRGWYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H78N6/c1-67-19-49-82(50-20-67)103(83-51-21-68(2)22-52-83)88-61-43-76(44-62-88)94-16-10-7-13-91(94)73-31-37-79(38-32-73)97-100-98(80-39-33-74(34-40-80)92-14-8-11-17-95(92)77-45-63-89(64-46-77)104(84-53-23-69(3)24-54-84)85-55-25-70(4)26-56-85)102-99(101-97)81-41-35-75(36-42-81)93-15-9-12-18-96(93)78-47-65-90(66-48-78)105(86-57-27-71(5)28-58-86)87-59-29-72(6)30-60-87/h7-66H,1-6H3.
What are the key properties of N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1351.75 g/mol, XLogP of 27.13, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58251528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).