2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C55H37N3O — CID 167113751

IUPAC2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2c(c3ccccc3c3ccc(C4=CC5c6c(cccc6-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)OC5c5ccccc54)cc23)CC1
InChIInChI=1S/C55H37N3O/c1-3-15-34(16-4-1)53-56-54(35-17-5-2-6-18-35)58-55(57-53)38-20-13-19-36(31-38)39-27-14-28-50-51(39)49-33-47(44-25-11-12-26-46(44)52(49)59-50)37-29-30-45-42-23-8-7-21-40(42)41-22-9-10-24-43(41)48(45)32-37/h1-8,10-21,23-33,49,52H,9,22H2
InChIKeyYWAGJTGAYBPMHZ-UHFFFAOYSA-N
MW755.92 g/mol
LogP13.47
Rot. Bonds5

About 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167113751) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167113751
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2c(c3ccccc3c3ccc(C4=CC5c6c(cccc6-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)OC5c5ccccc54)cc23)CC1
InChIInChI=1S/C55H37N3O/c1-3-15-34(16-4-1)53-56-54(35-17-5-2-6-18-35)58-55(57-53)38-20-13-19-36(31-38)39-27-14-28-50-51(39)49-33-47(44-25-11-12-26-46(44)52(49)59-50)37-29-30-45-42-23-8-7-21-40(42)41-22-9-10-24-43(41)48(45)32-37/h1-8,10-21,23-33,49,52H,9,22H2
InChIKeyYWAGJTGAYBPMHZ-UHFFFAOYSA-N
XLogP13.47
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135233593
2-[8-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167200523
2-[4-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167007325
2-[3-(7,8-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170219498
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163966387
N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine
CID 155440723
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
CID 129197677
2-[6-(6,7-dihydrodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171587095

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 167113751) is 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is C1=Cc2c(c3ccccc3c3ccc(C4=CC5c6c(cccc6-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)OC5c5ccccc54)cc23)CC1.
What is the InChIKey of 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YWAGJTGAYBPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c1-3-15-34(16-4-1)53-56-54(35-17-5-2-6-18-35)58-55(57-53)38-20-13-19-36(31-38)39-27-14-28-50-51(39)49-33-47(44-25-11-12-26-46(44)52(49)59-50)37-29-30-45-42-23-8-7-21-40(42)41-22-9-10-24-43(41)48(45)32-37/h1-8,10-21,23-33,49,52H,9,22H2.
What are the key properties of 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 755.92 g/mol, XLogP of 13.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167113751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).