9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine

C40H28N6 — CID 144644893

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine
SMILES[H]/N=C/c1cc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2cc1Nc1ccccc1
InChIInChI=1S/C40H28N6/c41-26-30-24-34-33-21-10-11-22-36(33)46(37(34)25-35(30)42-31-18-8-3-9-19-31)32-20-12-17-29(23-32)40-44-38(27-13-4-1-5-14-27)43-39(45-40)28-15-6-2-7-16-28/h1-26,41-42H/b41-26+
InChIKeyXUVIGQYIGFTSLS-MMFILIDRSA-N
MW592.71 g/mol
LogP9.71
Rot. Bonds7

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine (PubChem CID 144644893) has the molecular formula C40H28N6 and a molecular weight of 592.71 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine
PubChem CID144644893
Molecular FormulaC40H28N6
Molecular Weight592.71 g/mol
Exact Mass592.24
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine
SMILES[H]/N=C/c1cc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2cc1Nc1ccccc1
InChIInChI=1S/C40H28N6/c41-26-30-24-34-33-21-10-11-22-36(33)46(37(34)25-35(30)42-31-18-8-3-9-19-31)32-20-12-17-29(23-32)40-44-38(27-13-4-1-5-14-27)43-39(45-40)28-15-6-2-7-16-28/h1-26,41-42H/b41-26+
InChIKeyXUVIGQYIGFTSLS-MMFILIDRSA-N
XLogP9.71
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine
CID 145340516
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine (CID 144644893) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine is [H]/N=C/c1cc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2cc1Nc1ccccc1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine?
The InChIKey is XUVIGQYIGFTSLS-MMFILIDRSA-N. The full InChI is InChI=1S/C40H28N6/c41-26-30-24-34-33-21-10-11-22-36(33)46(37(34)25-35(30)42-31-18-8-3-9-19-31)32-20-12-17-29(23-32)40-44-38(27-13-4-1-5-14-27)43-39(45-40)28-15-6-2-7-16-28/h1-26,41-42H/b41-26+.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine has a molecular weight of 592.71 g/mol, XLogP of 9.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 144644893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).