18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene

C41H25NO2 — CID 145373964

IUPAC18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene
SMILESC=Cc1c(C)ccc2c1oc1c2c2ccccc2c2c1c1c3ccccc3ccc1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C41H25NO2/c1-3-25-23(2)19-21-31-35-28-14-6-7-15-29(28)38-37(41(35)44-39(25)31)36-26-12-5-4-11-24(26)20-22-32(36)42(38)33-17-10-16-30-27-13-8-9-18-34(27)43-40(30)33/h3-22H,1H2,2H3
InChIKeyCZPHPMHTXMDXQI-UHFFFAOYSA-N
MW563.66 g/mol
LogP11.84
Rot. Bonds2

About 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene

18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene (PubChem CID 145373964) has the molecular formula C41H25NO2 and a molecular weight of 563.66 g/mol. Its IUPAC name is 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene
PubChem CID145373964
Molecular FormulaC41H25NO2
Molecular Weight563.66 g/mol
Exact Mass563.19
IUPAC Name18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene
SMILESC=Cc1c(C)ccc2c1oc1c2c2ccccc2c2c1c1c3ccccc3ccc1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C41H25NO2/c1-3-25-23(2)19-21-31-35-28-14-6-7-15-29(28)38-37(41(35)44-39(25)31)36-26-12-5-4-11-24(26)20-22-32(36)42(38)33-17-10-16-30-27-13-8-9-18-34(27)43-40(30)33/h3-22H,1H2,2H3
InChIKeyCZPHPMHTXMDXQI-UHFFFAOYSA-N
XLogP11.84
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene?
The IUPAC name of 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene (CID 145373964) is 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene is C=Cc1c(C)ccc2c1oc1c2c2ccccc2c2c1c1c3ccccc3ccc1n2-c1cccc2c1oc1ccccc12.
What is the InChIKey of 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene?
The InChIKey is CZPHPMHTXMDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO2/c1-3-25-23(2)19-21-31-35-28-14-6-7-15-29(28)38-37(41(35)44-39(25)31)36-26-12-5-4-11-24(26)20-22-32(36)42(38)33-17-10-16-30-27-13-8-9-18-34(27)43-40(30)33/h3-22H,1H2,2H3.
What are the key properties of 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene?
18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene has a molecular weight of 563.66 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 145373964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).