3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

C33H20N2O — CID 118506396

IUPAC3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ncc5c(ccc6c7ccccc7oc65)c43)cc2)cc1
InChIInChI=1S/C33H20N2O/c1-2-8-21(9-3-1)22-14-16-23(17-15-22)35-29-12-6-4-11-27(29)31-32(35)25-18-19-26-24-10-5-7-13-30(24)36-33(26)28(25)20-34-31/h1-20H
InChIKeyAPNLDLPNGCDUED-UHFFFAOYSA-N
MW460.54 g/mol
LogP8.90
Rot. Bonds2

About 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (PubChem CID 118506396) has the molecular formula C33H20N2O and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
PubChem CID118506396
Molecular FormulaC33H20N2O
Molecular Weight460.54 g/mol
Exact Mass460.16
IUPAC Name3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ncc5c(ccc6c7ccccc7oc65)c43)cc2)cc1
InChIInChI=1S/C33H20N2O/c1-2-8-21(9-3-1)22-14-16-23(17-15-22)35-29-12-6-4-11-27(29)31-32(35)25-18-19-26-24-10-5-7-13-30(24)36-33(26)28(25)20-34-31/h1-20H
InChIKeyAPNLDLPNGCDUED-UHFFFAOYSA-N
XLogP8.90
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
CID 142289915
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506333
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
23-(4-phenylphenyl)-14-oxa-23-azaheptacyclo[19.11.0.02,7.08,13.015,20.022,30.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22(30),24,26,28,31-pentadecaene
CID 118614797
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 166832183
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The IUPAC name of 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (CID 118506396) is 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The canonical SMILES for 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is c1ccc(-c2ccc(-n3c4ccccc4c4ncc5c(ccc6c7ccccc7oc65)c43)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The InChIKey is APNLDLPNGCDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2O/c1-2-8-21(9-3-1)22-14-16-23(17-15-22)35-29-12-6-4-11-27(29)31-32(35)25-18-19-26-24-10-5-7-13-30(24)36-33(26)28(25)20-34-31/h1-20H.
What are the key properties of 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene has a molecular weight of 460.54 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118506396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).