9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

C51H33N — CID 118580972

IUPAC9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)c21
InChIInChI=1S/C51H33N/c1-51(2)44-20-9-7-15-35(44)41-25-24-40-42(50(41)51)27-29-47-49(40)43-17-8-10-21-45(43)52(47)46-28-26-33(30-12-5-6-16-36(30)46)34-22-23-39-32-14-4-3-13-31(32)37-18-11-19-38(34)48(37)39/h3-29H,1-2H3
InChIKeyZWRXGPILTYZUBP-UHFFFAOYSA-N
MW659.83 g/mol
LogP13.86
Rot. Bonds2

About 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (PubChem CID 118580972) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
PubChem CID118580972
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC Name9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)c21
InChIInChI=1S/C51H33N/c1-51(2)44-20-9-7-15-35(44)41-25-24-40-42(50(41)51)27-29-47-49(40)43-17-8-10-21-45(43)52(47)46-28-26-33(30-12-5-6-16-36(30)46)34-22-23-39-32-14-4-3-13-31(32)37-18-11-19-38(34)48(37)39/h3-29H,1-2H3
InChIKeyZWRXGPILTYZUBP-UHFFFAOYSA-N
XLogP13.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626
9-(3-fluoranthen-3-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580975
6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
9-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 118580958
3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
CID 71291314
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
9-fluoranthen-3-yl-21,21-dimethyl-18-phenyl-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 118635824
3,5-bis(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572260
6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736477

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The IUPAC name of 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (CID 118580972) is 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The canonical SMILES for 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)c21.
What is the InChIKey of 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The InChIKey is ZWRXGPILTYZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-51(2)44-20-9-7-15-35(44)41-25-24-40-42(50(41)51)27-29-47-49(40)43-17-8-10-21-45(43)52(47)46-28-26-33(30-12-5-6-16-36(30)46)34-22-23-39-32-14-4-3-13-31(32)37-18-11-19-38(34)48(37)39/h3-29H,1-2H3.
What are the key properties of 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene has a molecular weight of 659.83 g/mol, XLogP of 13.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118580972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).