2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine

C49H29N3O — CID 166742467

IUPAC2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(ccc8ccccc87)c6)n5)c34)ccc2c1
InChIInChI=1S/C49H29N3O/c1-3-11-33-26-35(19-16-30(33)8-1)36-22-25-42-45(29-36)53-44-15-7-14-43(46(42)44)49-51-47(38-21-17-31-9-2-4-12-34(31)27-38)50-48(52-49)39-23-24-41-37(28-39)20-18-32-10-5-6-13-40(32)41/h1-29H
InChIKeyMUGKAMDWFMCDQD-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.05
Rot. Bonds4

About 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine

2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine (PubChem CID 166742467) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
PubChem CID166742467
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(ccc8ccccc87)c6)n5)c34)ccc2c1
InChIInChI=1S/C49H29N3O/c1-3-11-33-26-35(19-16-30(33)8-1)36-22-25-42-45(29-36)53-44-15-7-14-43(46(42)44)49-51-47(38-21-17-31-9-2-4-12-34(31)27-38)50-48(52-49)39-23-24-41-37(28-39)20-18-32-10-5-6-13-40(32)41/h1-29H
InChIKeyMUGKAMDWFMCDQD-UHFFFAOYSA-N
XLogP13.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 513.05
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-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
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-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
2-naphthalen-2-yl-4-[4-(7-naphthalen-2-yldibenzofuran-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 166741738
2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 161400704
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine
CID 177130940
2-naphthalen-2-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166848571
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-1,3,5-triazine
CID 166848576
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine (CID 166742467) is 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine is c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(ccc8ccccc87)c6)n5)c34)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine?
The InChIKey is MUGKAMDWFMCDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-3-11-33-26-35(19-16-30(33)8-1)36-22-25-42-45(29-36)53-44-15-7-14-43(46(42)44)49-51-47(38-21-17-31-9-2-4-12-34(31)27-38)50-48(52-49)39-23-24-41-37(28-39)20-18-32-10-5-6-13-40(32)41/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine has a molecular weight of 675.79 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine is sourced from PubChem (CID 166742467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).