2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine

C34H30N10 — CID 58933271

IUPAC2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2ncnc(Nc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1C
InChIInChI=1S/C34H30N10/c1-23-19-29(41-33-37-21-35-31(43-33)39-27-9-5-3-6-10-27)17-15-25(23)13-14-26-16-18-30(20-24(26)2)42-34-38-22-36-32(44-34)40-28-11-7-4-8-12-28/h3-22H,1-2H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b14-13+
InChIKeyRWQMMZFJVDKYNX-BUHFOSPRSA-N
MW578.68 g/mol
LogP7.82
Rot. Bonds10

About 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 58933271) has the molecular formula C34H30N10 and a molecular weight of 578.68 g/mol. Its IUPAC name is 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID58933271
Molecular FormulaC34H30N10
Molecular Weight578.68 g/mol
Exact Mass578.27
IUPAC Name2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2ncnc(Nc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1C
InChIInChI=1S/C34H30N10/c1-23-19-29(41-33-37-21-35-31(43-33)39-27-9-5-3-6-10-27)17-15-25(23)13-14-26-16-18-30(20-24(26)2)42-34-38-22-36-32(44-34)40-28-11-7-4-8-12-28/h3-22H,1-2H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b14-13+
InChIKeyRWQMMZFJVDKYNX-BUHFOSPRSA-N
XLogP7.82
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 57.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

CID 172854912
CID 172854912
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
5-[[4-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[2-sulfonato-4-[[4-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethenyl]benzenesulfonate
CID 71598163
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
5-chloro-6-methyl-N-phenylquinazolin-2-amine
CID 70864218
N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine
CID 18005902
N-[4-[(E)-2-[4-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-2-methoxyperoxysulfanylphenyl]ethenyl]-3-methylphenyl]-4,6-dimethyl-1,3,5-triazin-2-amine
CID 59775478
CID 173063141
CID 173063141
sodium;5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid;hydride
CID 173450709
5-[[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 6437287
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 58933271) is 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1cc(Nc2ncnc(Nc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1C.
What is the InChIKey of 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RWQMMZFJVDKYNX-BUHFOSPRSA-N. The full InChI is InChI=1S/C34H30N10/c1-23-19-29(41-33-37-21-35-31(43-33)39-27-9-5-3-6-10-27)17-15-25(23)13-14-26-16-18-30(20-24(26)2)42-34-38-22-36-32(44-34)40-28-11-7-4-8-12-28/h3-22H,1-2H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b14-13+.
What are the key properties of 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 578.68 g/mol, XLogP of 7.82, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[(E)-2-[4-[(4-anilino-1,3,5-triazin-2-yl)amino]-2-methylphenyl]ethenyl]-3-methylphenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58933271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).