6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine

C59H35N3O2 — CID 164569389

IUPAC6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
SMILESc1cc(-c2cccc3oc4cc(-c5cccc6c7cccc8oc9cccc(c56)c9c87)ccc4c23)cc(C2N=C(c3ccc4ccccc4c3)N=C(c3cccc4ccccc34)N2)c1
InChIInChI=1S/C59H35N3O2/c1-2-13-36-31-40(28-27-34(36)11-1)58-60-57(61-59(62-58)46-22-6-14-35-12-3-4-17-41(35)46)39-16-5-15-37(32-39)43-19-8-24-49-54(43)47-30-29-38(33-52(47)64-49)42-18-7-20-44-45-21-9-25-50-55(45)56-48(53(42)44)23-10-26-51(56)63-50/h1-33,57H,(H,60,61,62)
InChIKeyFUYJWLLIFSDKMO-UHFFFAOYSA-N
MW817.95 g/mol
LogP15.37
Rot. Bonds5

About 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine

6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine (PubChem CID 164569389) has the molecular formula C59H35N3O2 and a molecular weight of 817.95 g/mol. Its IUPAC name is 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
PubChem CID164569389
Molecular FormulaC59H35N3O2
Molecular Weight817.95 g/mol
Exact Mass817.27
IUPAC Name6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
SMILESc1cc(-c2cccc3oc4cc(-c5cccc6c7cccc8oc9cccc(c56)c9c87)ccc4c23)cc(C2N=C(c3ccc4ccccc4c3)N=C(c3cccc4ccccc34)N2)c1
InChIInChI=1S/C59H35N3O2/c1-2-13-36-31-40(28-27-34(36)11-1)58-60-57(61-59(62-58)46-22-6-14-35-12-3-4-17-41(35)46)39-16-5-15-37(32-39)43-19-8-24-49-54(43)47-30-29-38(33-52(47)64-49)42-18-7-20-44-45-21-9-25-50-55(45)56-48(53(42)44)23-10-26-51(56)63-50/h1-33,57H,(H,60,61,62)
InChIKeyFUYJWLLIFSDKMO-UHFFFAOYSA-N
XLogP15.37
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.95
LogP ≤ 515.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
4-naphthalen-2-yl-6-phenanthren-2-yl-2-[4-(7-phenanthren-9-yldibenzofuran-1-yl)naphthalen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167029446
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine (CID 164569389) is 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine is c1cc(-c2cccc3oc4cc(-c5cccc6c7cccc8oc9cccc(c56)c9c87)ccc4c23)cc(C2N=C(c3ccc4ccccc4c3)N=C(c3cccc4ccccc34)N2)c1.
What is the InChIKey of 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is FUYJWLLIFSDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3O2/c1-2-13-36-31-40(28-27-34(36)11-1)58-60-57(61-59(62-58)46-22-6-14-35-12-3-4-17-41(35)46)39-16-5-15-37(32-39)43-19-8-24-49-54(43)47-30-29-38(33-52(47)64-49)42-18-7-20-44-45-21-9-25-50-55(45)56-48(53(42)44)23-10-26-51(56)63-50/h1-33,57H,(H,60,61,62).
What are the key properties of 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine?
6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 817.95 g/mol, XLogP of 15.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 164569389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).