N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide

C46H29N5O — CID 174349574

IUPACN-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide
SMILES[H]/N=C(\Nc1ccccc1)c1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c12
InChIInChI=1S/C46H29N5O/c47-43(48-30-15-5-2-6-16-30)38-23-11-21-36-41-37(22-12-24-40(41)52-42(36)38)46-50-44(28-13-3-1-4-14-28)49-45(51-46)29-25-26-35-33-19-8-7-17-31(33)32-18-9-10-20-34(32)39(35)27-29/h1-27H,(H2,47,48)
InChIKeyWWLZNTKVQKGFLB-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.67
Rot. Bonds5

About N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide

N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide (PubChem CID 174349574) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide.

Molecular Properties

Compound NameN-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide
PubChem CID174349574
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC NameN-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide
SMILES[H]/N=C(\Nc1ccccc1)c1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c12
InChIInChI=1S/C46H29N5O/c47-43(48-30-15-5-2-6-16-30)38-23-11-21-36-41-37(22-12-24-40(41)52-42(36)38)46-50-44(28-13-3-1-4-14-28)49-45(51-46)29-25-26-35-33-19-8-7-17-31(33)32-18-9-10-20-34(32)39(35)27-29/h1-27H,(H2,47,48)
InChIKeyWWLZNTKVQKGFLB-UHFFFAOYSA-N
XLogP11.67
TPSA87.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 164808214
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 165018119
2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 174292591
2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166048412

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide?
The IUPAC name of N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide (CID 174349574) is N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide.
What is the SMILES notation for N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide?
The canonical SMILES for N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide is [H]/N=C(\Nc1ccccc1)c1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c12.
What is the InChIKey of N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide?
The InChIKey is WWLZNTKVQKGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c47-43(48-30-15-5-2-6-16-30)38-23-11-21-36-41-37(22-12-24-40(41)52-42(36)38)46-50-44(28-13-3-1-4-14-28)49-45(51-46)29-25-26-35-33-19-8-7-17-31(33)32-18-9-10-20-34(32)39(35)27-29/h1-27H,(H2,47,48).
What are the key properties of N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide?
N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide has a molecular weight of 667.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-carboximidamide is sourced from PubChem (CID 174349574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).