6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C64H58N10 — CID 89110234

IUPAC6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESC=C(c1nc(N(c2ccccc2C)c2ccccc2C)nc(N(c2ccccc2C)c2ccccc2C)n1)c1nc(N(c2ccccc2C)c2ccccc2C)nc(N(c2ccccc2C)c2ccccc2C)n1
InChIInChI=1S/C64H58N10/c1-42-26-10-18-34-51(42)71(52-35-19-11-27-43(52)2)61-65-59(66-62(69-61)72(53-36-20-12-28-44(53)3)54-37-21-13-29-45(54)4)50(9)60-67-63(73(55-38-22-14-30-46(55)5)56-39-23-15-31-47(56)6)70-64(68-60)74(57-40-24-16-32-48(57)7)58-41-25-17-33-49(58)8/h10-41H,9H2,1-8H3
InChIKeyWVZQELQGODMEHH-UHFFFAOYSA-N
MW967.24 g/mol
LogP16.46
Rot. Bonds14

About 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89110234) has the molecular formula C64H58N10 and a molecular weight of 967.24 g/mol. Its IUPAC name is 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID89110234
Molecular FormulaC64H58N10
Molecular Weight967.24 g/mol
Exact Mass966.48
IUPAC Name6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESC=C(c1nc(N(c2ccccc2C)c2ccccc2C)nc(N(c2ccccc2C)c2ccccc2C)n1)c1nc(N(c2ccccc2C)c2ccccc2C)nc(N(c2ccccc2C)c2ccccc2C)n1
InChIInChI=1S/C64H58N10/c1-42-26-10-18-34-51(42)71(52-35-19-11-27-43(52)2)61-65-59(66-62(69-61)72(53-36-20-12-28-44(53)3)54-37-21-13-29-45(54)4)50(9)60-67-63(73(55-38-22-14-30-46(55)5)56-39-23-15-31-47(56)6)70-64(68-60)74(57-40-24-16-32-48(57)7)58-41-25-17-33-49(58)8/h10-41H,9H2,1-8H3
InChIKeyWVZQELQGODMEHH-UHFFFAOYSA-N
XLogP16.46
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.24
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 89110234) is 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine is C=C(c1nc(N(c2ccccc2C)c2ccccc2C)nc(N(c2ccccc2C)c2ccccc2C)n1)c1nc(N(c2ccccc2C)c2ccccc2C)nc(N(c2ccccc2C)c2ccccc2C)n1.
What is the InChIKey of 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WVZQELQGODMEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N10/c1-42-26-10-18-34-51(42)71(52-35-19-11-27-43(52)2)61-65-59(66-62(69-61)72(53-36-20-12-28-44(53)3)54-37-21-13-29-45(54)4)50(9)60-67-63(73(55-38-22-14-30-46(55)5)56-39-23-15-31-47(56)6)70-64(68-60)74(57-40-24-16-32-48(57)7)58-41-25-17-33-49(58)8/h10-41H,9H2,1-8H3.
What are the key properties of 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 967.24 g/mol, XLogP of 16.46, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4,6-bis(2-methyl-N-(2-methylphenyl)anilino)-1,3,5-triazin-2-yl]ethenyl]-2-N,2-N,4-N,4-N-tetrakis(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89110234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).