2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine

C49H29N3O — CID 170213203

IUPAC2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5c(-c6ccc7c(ccc8ccccc87)c6)c6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C49H29N3O/c1-2-12-32(13-3-1)47-50-48(37-21-18-30-10-4-5-14-33(30)26-37)52-49(51-47)38-23-25-44-42(29-38)43-28-34-15-7-9-17-41(34)45(46(43)53-44)36-22-24-40-35(27-36)20-19-31-11-6-8-16-39(31)40/h1-29H
InChIKeyKFZJSDJBMXNKPE-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.05
Rot. Bonds4

About 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170213203) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID170213203
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5c(-c6ccc7c(ccc8ccccc87)c6)c6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C49H29N3O/c1-2-12-32(13-3-1)47-50-48(37-21-18-30-10-4-5-14-33(30)26-37)52-49(51-47)38-23-25-44-42(29-38)43-28-34-15-7-9-17-41(34)45(46(43)53-44)36-22-24-40-35(27-36)20-19-31-11-6-8-16-39(31)40/h1-29H
InChIKeyKFZJSDJBMXNKPE-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

2,4-dinaphthalen-2-yl-6-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 176755204
2-naphthalen-2-yl-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 170211717
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213128
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170213283
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
2-(4-naphthalen-2-yldibenzofuran-3-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176616921
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 170211931
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515
2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213573
4-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211894
4-[2-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211722

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine (CID 170213203) is 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5c(-c6ccc7c(ccc8ccccc87)c6)c6ccccc6cc5c4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is KFZJSDJBMXNKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-12-32(13-3-1)47-50-48(37-21-18-30-10-4-5-14-33(30)26-37)52-49(51-47)38-23-25-44-42(29-38)43-28-34-15-7-9-17-41(34)45(46(43)53-44)36-22-24-40-35(27-36)20-19-31-11-6-8-16-39(31)40/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-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-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170213203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).