6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline

C52H30N4O — CID 155018612

IUPAC6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C52H30N4O/c1-2-14-31(15-3-1)50-54-51(32-26-27-39-35-18-5-4-16-33(35)34-17-6-9-21-38(34)44(39)30-32)56-52(55-50)41-29-28-40(36-19-7-8-20-37(36)41)48-49-47(42-22-10-12-24-45(42)53-48)43-23-11-13-25-46(43)57-49/h1-30H
InChIKeyUEOSHOPTWOIDPQ-UHFFFAOYSA-N
MW726.84 g/mol
LogP13.60
Rot. Bonds4

About 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline

6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 155018612) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline
PubChem CID155018612
Molecular FormulaC52H30N4O
Molecular Weight726.84 g/mol
Exact Mass726.24
IUPAC Name6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C52H30N4O/c1-2-14-31(15-3-1)50-54-51(32-26-27-39-35-18-5-4-16-33(35)34-17-6-9-21-38(34)44(39)30-32)56-52(55-50)41-29-28-40(36-19-7-8-20-37(36)41)48-49-47(42-22-10-12-24-45(42)53-48)43-23-11-13-25-46(43)57-49/h1-30H
InChIKeyUEOSHOPTWOIDPQ-UHFFFAOYSA-N
XLogP13.60
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155019029
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159208393
6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163548746
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
2-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaen-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 139338009
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 142491356
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
14-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 148877973
2-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-14-triphenylen-2-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 146714132
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline (CID 155018612) is 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is UEOSHOPTWOIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-14-31(15-3-1)50-54-51(32-26-27-39-35-18-5-4-16-33(35)34-17-6-9-21-38(34)44(39)30-32)56-52(55-50)41-29-28-40(36-19-7-8-20-37(36)41)48-49-47(42-22-10-12-24-45(42)53-48)43-23-11-13-25-46(43)57-49/h1-30H.
What are the key properties of 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline?
6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 726.84 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 155018612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).