10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene

C51H32N2O — CID 148950422

IUPAC10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene
SMILESCC12C=CC=CC1c1ccc3c(c1O2)c1c2c4ccccc4n(-c4cc5c6c(cccc6c4)-c4ccccc4-5)c2ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C51H32N2O/c1-51-27-9-8-20-40(51)37-23-24-45-49(50(37)54-51)48-44(53(45)41-22-11-13-30-12-2-3-15-33(30)41)26-25-43-47(48)38-18-6-7-21-42(38)52(43)32-28-31-14-10-19-36-34-16-4-5-17-35(34)39(29-32)46(31)36/h2-29,40H,1H3
InChIKeyPPVOITGCRSBUAN-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.20
Rot. Bonds2

About 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene

10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene (PubChem CID 148950422) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene.

Molecular Properties

Compound Name10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene
PubChem CID148950422
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene
SMILESCC12C=CC=CC1c1ccc3c(c1O2)c1c2c4ccccc4n(-c4cc5c6c(cccc6c4)-c4ccccc4-5)c2ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C51H32N2O/c1-51-27-9-8-20-40(51)37-23-24-45-49(50(37)54-51)48-44(53(45)41-22-11-13-30-12-2-3-15-33(30)41)26-25-43-47(48)38-18-6-7-21-42(38)52(43)32-28-31-14-10-19-36-34-16-4-5-17-35(34)39(29-32)46(31)36/h2-29,40H,1H3
InChIKeyPPVOITGCRSBUAN-UHFFFAOYSA-N
XLogP13.20
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene with MolForge

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Related Compounds

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3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
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CID 163664569
2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole
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Frequently Asked Questions

What is the IUPAC name of 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene?
The IUPAC name of 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene (CID 148950422) is 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene.
What is the SMILES notation for 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene?
The canonical SMILES for 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene is CC12C=CC=CC1c1ccc3c(c1O2)c1c2c4ccccc4n(-c4cc5c6c(cccc6c4)-c4ccccc4-5)c2ccc1n3-c1cccc2ccccc12.
What is the InChIKey of 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene?
The InChIKey is PPVOITGCRSBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-51-27-9-8-20-40(51)37-23-24-45-49(50(37)54-51)48-44(53(45)41-22-11-13-30-12-2-3-15-33(30)41)26-25-43-47(48)38-18-6-7-21-42(38)52(43)32-28-31-14-10-19-36-34-16-4-5-17-35(34)39(29-32)46(31)36/h2-29,40H,1H3.
What are the key properties of 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene?
10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene has a molecular weight of 688.83 g/mol, XLogP of 13.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene is sourced from PubChem (CID 148950422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).