24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C42H25N3O — CID 129292577

IUPAC24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C42H25N3O/c1-3-13-26(14-4-1)28-23-24-43-39-33(27-15-5-2-6-16-27)25-36(44-40(28)39)45-34-21-11-9-19-31(34)37-29-17-7-8-18-30(29)38-32-20-10-12-22-35(32)46-42(38)41(37)45/h1-25H
InChIKeyGETQXLDDJBMLDP-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 129292577) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID129292577
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C42H25N3O/c1-3-13-26(14-4-1)28-23-24-43-39-33(27-15-5-2-6-16-27)25-36(44-40(28)39)45-34-21-11-9-19-31(34)37-29-17-7-8-18-30(29)38-32-20-10-12-22-35(32)46-42(38)41(37)45/h1-25H
InChIKeyGETQXLDDJBMLDP-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 147282573
24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122605193
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 164847930
12-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649917
24-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593181
9-(1,10-phenanthrolin-2-yl)-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634533
24-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593179
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 118634797
24-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593233
12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359261
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649916
24-(4-phenylquinazolin-2-yl)-3-oxa-13,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene
CID 134361385

Frequently Asked Questions

What is the IUPAC name of 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 129292577) is 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is GETQXLDDJBMLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-3-13-26(14-4-1)28-23-24-43-39-33(27-15-5-2-6-16-27)25-36(44-40(28)39)45-34-21-11-9-19-31(34)37-29-17-7-8-18-30(29)38-32-20-10-12-22-35(32)46-42(38)41(37)45/h1-25H.
What are the key properties of 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4,8-diphenyl-1,5-naphthyridin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 129292577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).