15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

C52H30N2O — CID 126678156

IUPAC15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccc8c(c6)-c6cccc9cccc-8c69)c5c43)oc3ccccc37)c2)cc1
InChIInChI=1S/C52H30N2O/c1-2-11-31(12-3-1)33-15-8-16-34(29-33)53-44-21-6-4-17-37(44)40-25-26-42-49-45(27-28-47-50(49)41-18-5-7-22-46(41)55-47)54(52(42)51(40)53)35-23-24-36-38-19-9-13-32-14-10-20-39(48(32)38)43(36)30-35/h1-30H
InChIKeySYBDHSXVSRDKRQ-UHFFFAOYSA-N
MW698.83 g/mol
LogP14.25
Rot. Bonds3

About 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene (PubChem CID 126678156) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
PubChem CID126678156
Molecular FormulaC52H30N2O
Molecular Weight698.83 g/mol
Exact Mass698.24
IUPAC Name15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccc8c(c6)-c6cccc9cccc-8c69)c5c43)oc3ccccc37)c2)cc1
InChIInChI=1S/C52H30N2O/c1-2-11-31(12-3-1)33-15-8-16-34(29-33)53-44-21-6-4-17-37(44)40-25-26-42-49-45(27-28-47-50(49)41-18-5-7-22-46(41)55-47)54(52(42)51(40)53)35-23-24-36-38-19-9-13-32-14-10-20-39(48(32)38)43(36)30-35/h1-30H
InChIKeySYBDHSXVSRDKRQ-UHFFFAOYSA-N
XLogP14.25
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.83
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

15-fluoranthen-8-yl-18-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680212
18-fluoranthen-2-yl-15-(4-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126678320
15-fluoranthen-8-yl-4-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678050
18-fluoranthen-2-yl-15-(3-phenylphenyl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126677916
18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680233
3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
15-fluoranthen-2-yl-24-(3-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126680236
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
18-fluoranthen-3-yl-15-naphthalen-1-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680120
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
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

Frequently Asked Questions

What is the IUPAC name of 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene (CID 126678156) is 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccc8c(c6)-c6cccc9cccc-8c69)c5c43)oc3ccccc37)c2)cc1.
What is the InChIKey of 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?
The InChIKey is SYBDHSXVSRDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O/c1-2-11-31(12-3-1)33-15-8-16-34(29-33)53-44-21-6-4-17-37(44)40-25-26-42-49-45(27-28-47-50(49)41-18-5-7-22-46(41)55-47)54(52(42)51(40)53)35-23-24-36-38-19-9-13-32-14-10-20-39(48(32)38)43(36)30-35/h1-30H.
What are the key properties of 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?
15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene has a molecular weight of 698.83 g/mol, XLogP of 14.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 126678156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).