5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

C30H20N2O — CID 145268683

IUPAC5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
SMILESC1=CCCC(n2c3ccccc3c3cc4[nH]c5c(ccc6oc7ccccc7c65)c4cc32)=C1
InChIInChI=1S/C30H20N2O/c1-2-8-18(9-3-1)32-25-12-6-4-10-19(25)23-16-24-22(17-26(23)32)20-14-15-28-29(30(20)31-24)21-11-5-7-13-27(21)33-28/h1-2,4-8,10-17,31H,3,9H2
InChIKeyHZGGBTXGIUYNSX-UHFFFAOYSA-N
MW424.50 g/mol
LogP8.52
Rot. Bonds1

About 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene (PubChem CID 145268683) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
PubChem CID145268683
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
SMILESC1=CCCC(n2c3ccccc3c3cc4[nH]c5c(ccc6oc7ccccc7c65)c4cc32)=C1
InChIInChI=1S/C30H20N2O/c1-2-8-18(9-3-1)32-25-12-6-4-10-19(25)23-16-24-22(17-26(23)32)20-14-15-28-29(30(20)31-24)21-11-5-7-13-27(21)33-28/h1-2,4-8,10-17,31H,3,9H2
InChIKeyHZGGBTXGIUYNSX-UHFFFAOYSA-N
XLogP8.52
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

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CID 142742550
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9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-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
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene (CID 145268683) is 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene is C1=CCCC(n2c3ccccc3c3cc4[nH]c5c(ccc6oc7ccccc7c65)c4cc32)=C1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
The InChIKey is HZGGBTXGIUYNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c1-2-8-18(9-3-1)32-25-12-6-4-10-19(25)23-16-24-22(17-26(23)32)20-14-15-28-29(30(20)31-24)21-11-5-7-13-27(21)33-28/h1-2,4-8,10-17,31H,3,9H2.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene has a molecular weight of 424.50 g/mol, XLogP of 8.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 145268683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).