3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine

C29H15NO3 — CID 138650801

IUPAC3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine
SMILESc1cncc(-c2cc3oc4ccc5c6ccccc6oc5c4c3c3c2oc2ccccc23)c1
InChIInChI=1S/C29H15NO3/c1-3-9-21-17(7-1)18-11-12-23-27(28(18)32-21)26-24(31-23)14-20(16-6-5-13-30-15-16)29-25(26)19-8-2-4-10-22(19)33-29/h1-15H
InChIKeyVEKFNBQTQKEBAQ-UHFFFAOYSA-N
MW425.44 g/mol
LogP8.45
Rot. Bonds1

About 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine

3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine (PubChem CID 138650801) has the molecular formula C29H15NO3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine.

Molecular Properties

Compound Name3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine
PubChem CID138650801
Molecular FormulaC29H15NO3
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Name3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine
SMILESc1cncc(-c2cc3oc4ccc5c6ccccc6oc5c4c3c3c2oc2ccccc23)c1
InChIInChI=1S/C29H15NO3/c1-3-9-21-17(7-1)18-11-12-23-27(28(18)32-21)26-24(31-23)14-20(16-6-5-13-30-15-16)29-25(26)19-8-2-4-10-22(19)33-29/h1-15H
InChIKeyVEKFNBQTQKEBAQ-UHFFFAOYSA-N
XLogP8.45
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine with MolForge

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Related Compounds

3-[4-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-18-yl)phenyl]pyridine
CID 138651410
4-phenyl-N-(4-phenylphenyl)-N-[4-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)phenyl]aniline
CID 138650794
N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)aniline
CID 138650773
2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155603342
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-amine
CID 138651140
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077820
2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155077884
N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline
CID 162046042
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-3-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)aniline
CID 167363487

Frequently Asked Questions

What is the IUPAC name of 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine?
The IUPAC name of 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine (CID 138650801) is 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine.
What is the SMILES notation for 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine?
The canonical SMILES for 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine is c1cncc(-c2cc3oc4ccc5c6ccccc6oc5c4c3c3c2oc2ccccc23)c1.
What is the InChIKey of 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine?
The InChIKey is VEKFNBQTQKEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15NO3/c1-3-9-21-17(7-1)18-11-12-23-27(28(18)32-21)26-24(31-23)14-20(16-6-5-13-30-15-16)29-25(26)19-8-2-4-10-22(19)33-29/h1-15H.
What are the key properties of 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine?
3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine has a molecular weight of 425.44 g/mol, XLogP of 8.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,15,26-trioxaheptacyclo[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),20,22,24-dodecaen-12-yl)pyridine is sourced from PubChem (CID 138650801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).