2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine

C43H25N3O — CID 161400704

IUPAC2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cc5ccccc5c5ccc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C43H25N3O/c1-2-12-28-24-30(21-20-26(28)10-1)41-44-42(35-17-9-19-38-40(35)34-16-7-8-18-37(34)47-38)46-43(45-41)36-25-29-13-4-5-14-31(29)33-23-22-27-11-3-6-15-32(27)39(33)36/h1-25H
InChIKeySGRRRDZDYHWYFV-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.38
Rot. Bonds3

About 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine

2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 161400704) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID161400704
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cc5ccccc5c5ccc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C43H25N3O/c1-2-12-28-24-30(21-20-26(28)10-1)41-44-42(35-17-9-19-38-40(35)34-16-7-8-18-37(34)47-38)46-43(45-41)36-25-29-13-4-5-14-31(29)33-23-22-27-11-3-6-15-32(27)39(33)36/h1-25H
InChIKeySGRRRDZDYHWYFV-UHFFFAOYSA-N
XLogP11.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 166742467
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 169053906
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazine
CID 163519899
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 161400704) is 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cc5ccccc5c5ccc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is SGRRRDZDYHWYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-2-12-28-24-30(21-20-26(28)10-1)41-44-42(35-17-9-19-38-40(35)34-16-7-8-18-37(34)47-38)46-43(45-41)36-25-29-13-4-5-14-31(29)33-23-22-27-11-3-6-15-32(27)39(33)36/h1-25H.
What are the key properties of 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 599.69 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 161400704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).