16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C44H25NO — CID 118580874

IUPAC16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)oc5ccc6ccccc6c57)cc4)ccc-2c13
InChIInChI=1S/C44H25NO/c1-2-9-30-26(8-1)18-23-41-44(30)38-24-37-33-12-5-6-15-39(33)45(40(37)25-42(38)46-41)28-19-16-27(17-20-28)29-21-22-36-32-11-4-3-10-31(32)35-14-7-13-34(29)43(35)36/h1-25H
InChIKeyPPZIEELRYHIAQM-UHFFFAOYSA-N
MW583.69 g/mol
LogP12.30
Rot. Bonds2

About 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 118580874) has the molecular formula C44H25NO and a molecular weight of 583.69 g/mol. Its IUPAC name is 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID118580874
Molecular FormulaC44H25NO
Molecular Weight583.69 g/mol
Exact Mass583.19
IUPAC Name16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)oc5ccc6ccccc6c57)cc4)ccc-2c13
InChIInChI=1S/C44H25NO/c1-2-9-30-26(8-1)18-23-41-44(30)38-24-37-33-12-5-6-15-39(33)45(40(37)25-42(38)46-41)28-19-16-27(17-20-28)29-21-22-36-32-11-4-3-10-31(32)35-14-7-13-34(29)43(35)36/h1-25H
InChIKeyPPZIEELRYHIAQM-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 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580860
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687
16-(4-naphthalen-1-ylphenyl)-12-(9-phenylcarbazol-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 164761193
9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304406
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
16-(4-naphthalen-1-ylphenyl)-12-(2,3,4,5,6-pentadeuteriophenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 166022158
4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325707
7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 118301044
7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
CID 126633153
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179

Frequently Asked Questions

What is the IUPAC name of 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 118580874) is 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)oc5ccc6ccccc6c57)cc4)ccc-2c13.
What is the InChIKey of 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is PPZIEELRYHIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NO/c1-2-9-30-26(8-1)18-23-41-44(30)38-24-37-33-12-5-6-15-39(33)45(40(37)25-42(38)46-41)28-19-16-27(17-20-28)29-21-22-36-32-11-4-3-10-31(32)35-14-7-13-34(29)43(35)36/h1-25H.
What are the key properties of 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-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 16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 118580874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).