22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene

C44H25NO — CID 118581027

IUPAC22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc4cc5oc6ccccc6c5cc4cc32)c1
InChIInChI=1S/C44H25NO/c1-2-12-32-31(11-1)36-16-8-15-35-30(19-20-37(32)44(35)36)26-9-7-10-29(21-26)45-40-17-5-3-13-33(40)38-22-28-25-43-39(23-27(28)24-41(38)45)34-14-4-6-18-42(34)46-43/h1-25H
InChIKeyHQWDDURPUUIWST-UHFFFAOYSA-N
MW583.69 g/mol
LogP12.30
Rot. Bonds2

About 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene

22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene (PubChem CID 118581027) has the molecular formula C44H25NO and a molecular weight of 583.69 g/mol. Its IUPAC name is 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
PubChem CID118581027
Molecular FormulaC44H25NO
Molecular Weight583.69 g/mol
Exact Mass583.19
IUPAC Name22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc4cc5oc6ccccc6c5cc4cc32)c1
InChIInChI=1S/C44H25NO/c1-2-12-32-31(11-1)36-16-8-15-35-30(19-20-37(32)44(35)36)26-9-7-10-29(21-26)45-40-17-5-3-13-33(40)38-22-28-25-43-39(23-27(28)24-41(38)45)34-14-4-6-18-42(34)46-43/h1-25H
InChIKeyHQWDDURPUUIWST-UHFFFAOYSA-N
XLogP12.30
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-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

7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118580846
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325755
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 154976988
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118580736
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137

Frequently Asked Questions

What is the IUPAC name of 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene?
The IUPAC name of 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene (CID 118581027) is 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene.
What is the SMILES notation for 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene?
The canonical SMILES for 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc4cc5oc6ccccc6c5cc4cc32)c1.
What is the InChIKey of 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene?
The InChIKey is HQWDDURPUUIWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NO/c1-2-12-32-31(11-1)36-16-8-15-35-30(19-20-37(32)44(35)36)26-9-7-10-29(21-26)45-40-17-5-3-13-33(40)38-22-28-25-43-39(23-27(28)24-41(38)45)34-14-4-6-18-42(34)46-43/h1-25H.
What are the key properties of 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene?
22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene has a molecular weight of 583.69 g/mol, XLogP of 12.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene is sourced from PubChem (CID 118581027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).