12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C38H24N4O — CID 163870306

IUPAC12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2cc(C3=NC(c4ccc5ccccc5c4)N=C(c4ccnc5oc6cc7ccccc7cc6c45)N3)ccc2c1
InChIInChI=1S/C38H24N4O/c1-3-9-25-19-29(15-13-23(25)7-1)35-40-36(30-16-14-24-8-2-4-10-26(24)20-30)42-37(41-35)31-17-18-39-38-34(31)32-21-27-11-5-6-12-28(27)22-33(32)43-38/h1-22,35H,(H,40,41,42)
InChIKeyPKFIAGJHELKWKF-UHFFFAOYSA-N
MW552.64 g/mol
LogP8.94
Rot. Bonds3

About 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 163870306) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID163870306
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2cc(C3=NC(c4ccc5ccccc5c4)N=C(c4ccnc5oc6cc7ccccc7cc6c45)N3)ccc2c1
InChIInChI=1S/C38H24N4O/c1-3-9-25-19-29(15-13-23(25)7-1)35-40-36(30-16-14-24-8-2-4-10-26(24)20-30)42-37(41-35)31-17-18-39-38-34(31)32-21-27-11-5-6-12-28(27)22-33(32)43-38/h1-22,35H,(H,40,41,42)
InChIKeyPKFIAGJHELKWKF-UHFFFAOYSA-N
XLogP8.94
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

12-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 166800198
9-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801462
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
9-(4-naphthalen-2-yl-6-phenanthren-3-yl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 172508104
12-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163838636
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
9-[6-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 163907995
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 129090176
9-(6-chrysen-3-yl-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801457

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 163870306) is 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1ccc2cc(C3=NC(c4ccc5ccccc5c4)N=C(c4ccnc5oc6cc7ccccc7cc6c45)N3)ccc2c1.
What is the InChIKey of 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is PKFIAGJHELKWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-9-25-19-29(15-13-23(25)7-1)35-40-36(30-16-14-24-8-2-4-10-26(24)20-30)42-37(41-35)31-17-18-39-38-34(31)32-21-27-11-5-6-12-28(27)22-33(32)43-38/h1-22,35H,(H,40,41,42).
What are the key properties of 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 552.64 g/mol, XLogP of 8.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 163870306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).