10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene

C36H27N3 — CID 146428607

IUPAC10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene
SMILESC1=CC(n2c3ccccc3c3c4c5c([nH]c4ccc32)C=CC2C5c3ccccc3N2c2ccccc2)=CCC1
InChIInChI=1S/C36H27N3/c1-3-11-23(12-4-1)38-29-17-9-7-15-25(29)33-31(38)21-19-27-35(33)36-28(37-27)20-22-32-34(36)26-16-8-10-18-30(26)39(32)24-13-5-2-6-14-24/h1,3-5,7-22,31,33,37H,2,6H2
InChIKeyIGCYBGZOUFSTJA-UHFFFAOYSA-N
MW501.63 g/mol
LogP9.15
Rot. Bonds2

About 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene

10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene (PubChem CID 146428607) has the molecular formula C36H27N3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene.

Molecular Properties

Compound Name10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene
PubChem CID146428607
Molecular FormulaC36H27N3
Molecular Weight501.63 g/mol
Exact Mass501.22
IUPAC Name10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene
SMILESC1=CC(n2c3ccccc3c3c4c5c([nH]c4ccc32)C=CC2C5c3ccccc3N2c2ccccc2)=CCC1
InChIInChI=1S/C36H27N3/c1-3-11-23(12-4-1)38-29-17-9-7-15-25(29)33-31(38)21-19-27-35(33)36-28(37-27)20-22-32-34(36)26-16-8-10-18-30(26)39(32)24-13-5-2-6-14-24/h1,3-5,7-22,31,33,37H,2,6H2
InChIKeyIGCYBGZOUFSTJA-UHFFFAOYSA-N
XLogP9.15
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene with MolForge

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Related Compounds

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3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene?
The IUPAC name of 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene (CID 146428607) is 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene.
What is the SMILES notation for 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene?
The canonical SMILES for 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene is C1=CC(n2c3ccccc3c3c4c5c([nH]c4ccc32)C=CC2C5c3ccccc3N2c2ccccc2)=CCC1.
What is the InChIKey of 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene?
The InChIKey is IGCYBGZOUFSTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3/c1-3-11-23(12-4-1)38-29-17-9-7-15-25(29)33-31(38)21-19-27-35(33)36-28(37-27)20-22-32-34(36)26-16-8-10-18-30(26)39(32)24-13-5-2-6-14-24/h1,3-5,7-22,31,33,37H,2,6H2.
What are the key properties of 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene?
10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene has a molecular weight of 501.63 g/mol, XLogP of 9.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-1,5-dien-1-yl-20-phenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,21,23,25-undecaene is sourced from PubChem (CID 146428607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).