N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine

C72H58N8 — CID 88918282

IUPACN-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(CCCCCCc5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C72H58N8/c1(9-23-53-37-41-55(42-38-53)57-45-49-65(50-46-57)79(63-33-19-7-20-34-63)64-35-21-8-22-36-64)2-10-24-54-39-43-56(44-40-54)58-47-51-66(52-48-58)80(71-75-67(59-25-11-3-12-26-59)73-68(76-71)60-27-13-4-14-28-60)72-77-69(61-29-15-5-16-30-61)74-70(78-72)62-31-17-6-18-32-62/h3-8,11-22,25-52H,1-2,9-10,23-24H2
InChIKeyCZWMSVLBIUBVBV-UHFFFAOYSA-N
MW1035.31 g/mol
LogP18.34
Rot. Bonds19

About N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine

N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine (PubChem CID 88918282) has the molecular formula C72H58N8 and a molecular weight of 1035.31 g/mol. Its IUPAC name is N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine
PubChem CID88918282
Molecular FormulaC72H58N8
Molecular Weight1035.31 g/mol
Exact Mass1034.48
IUPAC NameN-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(CCCCCCc5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C72H58N8/c1(9-23-53-37-41-55(42-38-53)57-45-49-65(50-46-57)79(63-33-19-7-20-34-63)64-35-21-8-22-36-64)2-10-24-54-39-43-56(44-40-54)58-47-51-66(52-48-58)80(71-75-67(59-25-11-3-12-26-59)73-68(76-71)60-27-13-4-14-28-60)72-77-69(61-29-15-5-16-30-61)74-70(78-72)62-31-17-6-18-32-62/h3-8,11-22,25-52H,1-2,9-10,23-24H2
InChIKeyCZWMSVLBIUBVBV-UHFFFAOYSA-N
XLogP18.34
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.31
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol
CID 164745626
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine (CID 88918282) is N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(CCCCCCc5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is CZWMSVLBIUBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N8/c1(9-23-53-37-41-55(42-38-53)57-45-49-65(50-46-57)79(63-33-19-7-20-34-63)64-35-21-8-22-36-64)2-10-24-54-39-43-56(44-40-54)58-47-51-66(52-48-58)80(71-75-67(59-25-11-3-12-26-59)73-68(76-71)60-27-13-4-14-28-60)72-77-69(61-29-15-5-16-30-61)74-70(78-72)62-31-17-6-18-32-62/h3-8,11-22,25-52H,1-2,9-10,23-24H2.
What are the key properties of N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine?
N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 1035.31 g/mol, XLogP of 18.34, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 88918282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).