1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine

C44H29N5O — CID 154596585

IUPAC1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine
SMILES[H]/N=C(\c1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1)c1c(Nc2ccccc2)ccc2ccccc12
InChIInChI=1S/C44H29N5O/c45-41(40-34-19-11-10-12-28(34)20-23-37(40)46-33-17-8-3-9-18-33)31-21-24-38-35(26-31)36-27-32(22-25-39(36)50-38)44-48-42(29-13-4-1-5-14-29)47-43(49-44)30-15-6-2-7-16-30/h1-27,45-46H/b45-41+
InChIKeyJDNZPKHQUMYFLY-LYMKOHMFSA-N
MW643.75 g/mol
LogP11.08
Rot. Bonds7

About 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine

1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine (PubChem CID 154596585) has the molecular formula C44H29N5O and a molecular weight of 643.75 g/mol. Its IUPAC name is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine
PubChem CID154596585
Molecular FormulaC44H29N5O
Molecular Weight643.75 g/mol
Exact Mass643.24
IUPAC Name1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine
SMILES[H]/N=C(\c1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1)c1c(Nc2ccccc2)ccc2ccccc12
InChIInChI=1S/C44H29N5O/c45-41(40-34-19-11-10-12-28(34)20-23-37(40)46-33-17-8-3-9-18-33)31-21-24-38-35(26-31)36-27-32(22-25-39(36)50-38)44-48-42(29-13-4-1-5-14-29)47-43(49-44)30-15-6-2-7-16-30/h1-27,45-46H/b45-41+
InChIKeyJDNZPKHQUMYFLY-LYMKOHMFSA-N
XLogP11.08
TPSA87.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 511.08
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

N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine
CID 152976135
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
dibenzofuran-2-yl(phenyl)methanimine
CID 167230325
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616809
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine (CID 154596585) is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine is [H]/N=C(\c1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1)c1c(Nc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine?
The InChIKey is JDNZPKHQUMYFLY-LYMKOHMFSA-N. The full InChI is InChI=1S/C44H29N5O/c45-41(40-34-19-11-10-12-28(34)20-23-37(40)46-33-17-8-3-9-18-33)31-21-24-38-35(26-31)36-27-32(22-25-39(36)50-38)44-48-42(29-13-4-1-5-14-29)47-43(49-44)30-15-6-2-7-16-30/h1-27,45-46H/b45-41+.
What are the key properties of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine?
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine has a molecular weight of 643.75 g/mol, XLogP of 11.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 154596585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).