2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine

C49H29N3O — CID 171754633

IUPAC2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5c5ccccc45)n3)c3c2oc2c4ccccc4ccc23)cc1
InChIInChI=1S/C49H29N3O/c1-2-13-31(14-3-1)38-26-27-42(44-41-25-24-32-15-6-9-19-37(32)45(41)53-46(38)44)48-50-47(35-23-22-30-12-4-5-16-33(30)28-35)51-49(52-48)43-29-34-17-7-8-18-36(34)39-20-10-11-21-40(39)43/h1-29H
InChIKeyJEJYJSHAKOZSFZ-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.05
Rot. Bonds4

About 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine (PubChem CID 171754633) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
PubChem CID171754633
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5c5ccccc45)n3)c3c2oc2c4ccccc4ccc23)cc1
InChIInChI=1S/C49H29N3O/c1-2-13-31(14-3-1)38-26-27-42(44-41-25-24-32-15-6-9-19-37(32)45(41)53-46(38)44)48-50-47(35-23-22-30-12-4-5-16-33(30)28-35)51-49(52-48)43-29-34-17-7-8-18-36(34)39-20-10-11-21-40(39)43/h1-29H
InChIKeyJEJYJSHAKOZSFZ-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-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754578
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171755430
2-phenanthren-2-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 160632178
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122
4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
CID 156553824
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741408
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164991903
2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 162235382
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278839

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine (CID 171754633) is 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5c5ccccc45)n3)c3c2oc2c4ccccc4ccc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The InChIKey is JEJYJSHAKOZSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-13-31(14-3-1)38-26-27-42(44-41-25-24-32-15-6-9-19-37(32)45(41)53-46(38)44)48-50-47(35-23-22-30-12-4-5-16-33(30)28-35)51-49(52-48)43-29-34-17-7-8-18-36(34)39-20-10-11-21-40(39)43/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-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-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine is sourced from PubChem (CID 171754633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).