9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole

C41H24N6O — CID 168743066

IUPAC9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C41H24N6O/c1-3-9-26(10-4-1)39-42-40(44-41(43-39)29-18-21-33-32-13-7-8-14-35(32)48-36(33)24-29)28-17-20-31-27(23-28)16-15-25-19-22-34-38(37(25)31)46-47(45-34)30-11-5-2-6-12-30/h1-24H
InChIKeyRPPZQHUYVFAUMH-UHFFFAOYSA-N
MW616.68 g/mol
LogP9.81
Rot. Bonds4

About 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole (PubChem CID 168743066) has the molecular formula C41H24N6O and a molecular weight of 616.68 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
PubChem CID168743066
Molecular FormulaC41H24N6O
Molecular Weight616.68 g/mol
Exact Mass616.20
IUPAC Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C41H24N6O/c1-3-9-26(10-4-1)39-42-40(44-41(43-39)29-18-21-33-32-13-7-8-14-35(32)48-36(33)24-29)28-17-20-31-27(23-28)16-15-25-19-22-34-38(37(25)31)46-47(45-34)30-11-5-2-6-12-30/h1-24H
InChIKeyRPPZQHUYVFAUMH-UHFFFAOYSA-N
XLogP9.81
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

10-dibenzofuran-1-yl-2-phenylnaphtho[1,2-e]benzotriazole
CID 164740384
2-(23-oxahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 159847682
2-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 164721487
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-(16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-1,3,5-triazine
CID 164721596
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole?
The IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole (CID 168743066) is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole.
What is the SMILES notation for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole?
The canonical SMILES for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole is c1ccc(-c2nc(-c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole?
The InChIKey is RPPZQHUYVFAUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6O/c1-3-9-26(10-4-1)39-42-40(44-41(43-39)29-18-21-33-32-13-7-8-14-35(32)48-36(33)24-29)28-17-20-31-27(23-28)16-15-25-19-22-34-38(37(25)31)46-47(45-34)30-11-5-2-6-12-30/h1-24H.
What are the key properties of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole?
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole has a molecular weight of 616.68 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole is sourced from PubChem (CID 168743066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).