24-(4-fluoranthen-3-ylphenyl)-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

C44H25NO — CID 118580919

IUPAC24-(4-fluoranthen-3-ylphenyl)-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
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8oc7c65)cc4)ccc-2c13
InChIInChI=1S/C44H25NO/c1-2-11-30-29(10-1)32-17-9-16-31-28(24-25-35(30)40(31)32)26-20-22-27(23-21-26)45-38-18-7-5-14-36(38)41-33-12-3-4-13-34(33)42-37-15-6-8-19-39(37)46-44(42)43(41)45/h1-25H
InChIKeyZLJGNDJVBJBESY-UHFFFAOYSA-N
MW583.69 g/mol
LogP12.30
Rot. Bonds2

About 24-(4-fluoranthen-3-ylphenyl)-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-fluoranthen-3-ylphenyl)-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 118580919) has the molecular formula C44H25NO and a molecular weight of 583.69 g/mol. Its IUPAC name is 24-(4-fluoranthen-3-ylphenyl)-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-fluoranthen-3-ylphenyl)-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 CID118580919
Molecular FormulaC44H25NO
Molecular Weight583.69 g/mol
Exact Mass583.19
IUPAC Name24-(4-fluoranthen-3-ylphenyl)-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
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8oc7c65)cc4)ccc-2c13
InChIInChI=1S/C44H25NO/c1-2-11-30-29(10-1)32-17-9-16-31-28(24-25-35(30)40(31)32)26-20-22-27(23-21-26)45-38-18-7-5-14-36(38)41-33-12-3-4-13-34(33)42-37-15-6-8-19-39(37)46-44(42)43(41)45/h1-25H
InChIKeyZLJGNDJVBJBESY-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 24-(4-fluoranthen-3-ylphenyl)-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

21-(4-fluoranthen-3-ylphenyl)-9,18-dioxa-21-azaheptacyclo[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 118634914
18-(3-fluoranthen-3-ylphenyl)-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 118635356
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[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 118488562
24-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-fluoranthen-3-yl-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(3-fluoranthen-3-ylphenyl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(4-fluoranthen-3-ylphenyl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 157124114
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
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118580736
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
9-(4-carbazol-9-ylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502828
10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828014
9-(4-methylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 126501169
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
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

Frequently Asked Questions

What is the IUPAC name of 24-(4-fluoranthen-3-ylphenyl)-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-fluoranthen-3-ylphenyl)-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 118580919) is 24-(4-fluoranthen-3-ylphenyl)-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-fluoranthen-3-ylphenyl)-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-fluoranthen-3-ylphenyl)-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 c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8oc7c65)cc4)ccc-2c13.
What is the InChIKey of 24-(4-fluoranthen-3-ylphenyl)-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 ZLJGNDJVBJBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NO/c1-2-11-30-29(10-1)32-17-9-16-31-28(24-25-35(30)40(31)32)26-20-22-27(23-21-26)45-38-18-7-5-14-36(38)41-33-12-3-4-13-34(33)42-37-15-6-8-19-39(37)46-44(42)43(41)45/h1-25H.
What are the key properties of 24-(4-fluoranthen-3-ylphenyl)-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-fluoranthen-3-ylphenyl)-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 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 24-(4-fluoranthen-3-ylphenyl)-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 118580919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).