2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline

C51H31N5O — CID 154955773

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6oc7c(-c8ccccc8)cccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C51H31N5O/c1-5-14-32(15-6-1)39-22-13-23-40-41-30-38(44-29-27-35-25-24-34-26-28-43(33-16-7-2-8-17-33)52-45(34)46(35)53-44)31-42(48(41)57-47(39)40)51-55-49(36-18-9-3-10-19-36)54-50(56-51)37-20-11-4-12-21-37/h1-31H
InChIKeyFLISBVDJEIODEI-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.87
Rot. Bonds6

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline (PubChem CID 154955773) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline
PubChem CID154955773
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6oc7c(-c8ccccc8)cccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C51H31N5O/c1-5-14-32(15-6-1)39-22-13-23-40-41-30-38(44-29-27-35-25-24-34-26-28-43(33-16-7-2-8-17-33)52-45(34)46(35)53-44)31-42(48(41)57-47(39)40)51-55-49(36-18-9-3-10-19-36)54-50(56-51)37-20-11-4-12-21-37/h1-31H
InChIKeyFLISBVDJEIODEI-UHFFFAOYSA-N
XLogP12.87
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
CID 164834780
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline (CID 154955773) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6oc7c(-c8ccccc8)cccc7c6c5)nc4c3n2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline?
The InChIKey is FLISBVDJEIODEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-5-14-32(15-6-1)39-22-13-23-40-41-30-38(44-29-27-35-25-24-34-26-28-43(33-16-7-2-8-17-33)52-45(34)46(35)53-44)31-42(48(41)57-47(39)40)51-55-49(36-18-9-3-10-19-36)54-50(56-51)37-20-11-4-12-21-37/h1-31H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline has a molecular weight of 729.84 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 154955773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).