18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C40H25NO — CID 122465775

IUPAC18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)c2)cc1
InChIInChI=1S/C40H25NO/c1-3-13-26(14-4-1)28-23-29(27-15-5-2-6-16-27)25-30(24-28)41-35-21-11-9-19-33(35)37-38-34-20-10-12-22-36(34)42-40(38)32-18-8-7-17-31(32)39(37)41/h1-25H
InChIKeyDKXUCCCJVSDMEO-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.17
Rot. Bonds3

About 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 122465775) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID122465775
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)c2)cc1
InChIInChI=1S/C40H25NO/c1-3-13-26(14-4-1)28-23-29(27-15-5-2-6-16-27)25-30(24-28)41-35-21-11-9-19-33(35)37-38-34-20-10-12-22-36(34)42-40(38)32-18-8-7-17-31(32)39(37)41/h1-25H
InChIKeyDKXUCCCJVSDMEO-UHFFFAOYSA-N
XLogP11.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
18-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9-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 118635347
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159106618
21-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenyl-18-oxa-9,21-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 118634635
19-phenyl-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737993
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 118634436
18-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672666
12-(4-triphenylen-2-ylphenyl)-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 134359194
9-dibenzofuran-1-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414752
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065

Frequently Asked Questions

What is the IUPAC name of 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 122465775) is 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)c2)cc1.
What is the InChIKey of 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is DKXUCCCJVSDMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-3-13-26(14-4-1)28-23-29(27-15-5-2-6-16-27)25-30(24-28)41-35-21-11-9-19-33(35)37-38-34-20-10-12-22-36(34)42-40(38)32-18-8-7-17-31(32)39(37)41/h1-25H.
What are the key properties of 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 535.65 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 122465775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).