10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

C52H30N2O — CID 126679257

IUPAC10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4ccc5c(c6ccccc6n5-c5ccc6c7c(cccc57)-c5ccccc5-6)c4c4ccc5oc6ccccc6c5c43)cc2)cc1
InChIInChI=1S/C52H30N2O/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)53-44-28-29-45-49(50(44)41-26-30-47-51(52(41)53)40-16-7-9-20-46(40)55-47)39-15-6-8-19-42(39)54(45)43-27-25-37-35-14-5-4-13-34(35)36-17-10-18-38(43)48(36)37/h1-30H
InChIKeyMCTBNTRMZVKCQH-UHFFFAOYSA-N
MW698.83 g/mol
LogP14.25
Rot. Bonds3

About 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679257) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
PubChem CID126679257
Molecular FormulaC52H30N2O
Molecular Weight698.83 g/mol
Exact Mass698.24
IUPAC Name10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4ccc5c(c6ccccc6n5-c5ccc6c7c(cccc57)-c5ccccc5-6)c4c4ccc5oc6ccccc6c5c43)cc2)cc1
InChIInChI=1S/C52H30N2O/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)53-44-28-29-45-49(50(44)41-26-30-47-51(52(41)53)40-16-7-9-20-46(40)55-47)39-15-6-8-19-42(39)54(45)43-27-25-37-35-14-5-4-13-34(35)36-17-10-18-38(43)48(36)37/h1-30H
InChIKeyMCTBNTRMZVKCQH-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 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

4,9-di(dibenzofuran-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 178110232
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
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-3-yl-12-(4-phenylphenyl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;12-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-12-(4-phenylquinazolin-2-yl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 159278225
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
9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
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
15,24-diphenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679108
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118580736
5-(4-dibenzofuran-4-ylnaphthalen-1-yl)-9,12-diphenylindolo[3,2-c]carbazole
CID 166588029
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
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954

Frequently Asked Questions

What is the IUPAC name of 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene (CID 126679257) is 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-n3c4ccc5c(c6ccccc6n5-c5ccc6c7c(cccc57)-c5ccccc5-6)c4c4ccc5oc6ccccc6c5c43)cc2)cc1.
What is the InChIKey of 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?
The InChIKey is MCTBNTRMZVKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)53-44-28-29-45-49(50(44)41-26-30-47-51(52(41)53)40-16-7-9-20-46(40)55-47)39-15-6-8-19-42(39)54(45)43-27-25-37-35-14-5-4-13-34(35)36-17-10-18-38(43)48(36)37/h1-30H.
What are the key properties of 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?
10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-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 10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).