2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine

C33H17NO2 — CID 164962191

IUPAC2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccc6ccc7oc8cccc9c8c7c6c5c4c3-9)n2)cc1
InChIInChI=1S/C33H17NO2/c1-2-6-18(7-3-1)22-9-5-10-23(34-22)20-14-17-27-33-29(20)21-8-4-11-24-30(21)31-25(35-24)15-12-19-13-16-26(36-27)32(33)28(19)31/h1-17H
InChIKeyXQWXGAJBWWLUIJ-UHFFFAOYSA-N
MW459.50 g/mol
LogP9.35
Rot. Bonds2

About 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine

2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine (PubChem CID 164962191) has the molecular formula C33H17NO2 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine
PubChem CID164962191
Molecular FormulaC33H17NO2
Molecular Weight459.50 g/mol
Exact Mass459.13
IUPAC Name2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccc6ccc7oc8cccc9c8c7c6c5c4c3-9)n2)cc1
InChIInChI=1S/C33H17NO2/c1-2-6-18(7-3-1)22-9-5-10-23(34-22)20-14-17-27-33-29(20)21-8-4-11-24-30(21)31-25(35-24)15-12-19-13-16-26(36-27)32(33)28(19)31/h1-17H
InChIKeyXQWXGAJBWWLUIJ-UHFFFAOYSA-N
XLogP9.35
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine with MolForge

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Related Compounds

2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165001020
2-(16-oxapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaen-15-yl)-6-phenylpyridine
CID 139497654
5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 164958738
4-(9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-21-yl)-N,N-diphenylaniline
CID 165033933
2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
CID 142515561
2-[4-(9-oxahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164845501
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
17-[4-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163595133
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
2-phenyl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 170658120
2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline
CID 90049952

Frequently Asked Questions

What is the IUPAC name of 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine?
The IUPAC name of 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine (CID 164962191) is 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine.
What is the SMILES notation for 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine?
The canonical SMILES for 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine is c1ccc(-c2cccc(-c3ccc4oc5ccc6ccc7oc8cccc9c8c7c6c5c4c3-9)n2)cc1.
What is the InChIKey of 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine?
The InChIKey is XQWXGAJBWWLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17NO2/c1-2-6-18(7-3-1)22-9-5-10-23(34-22)20-14-17-27-33-29(20)21-8-4-11-24-30(21)31-25(35-24)15-12-19-13-16-26(36-27)32(33)28(19)31/h1-17H.
What are the key properties of 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine?
2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine has a molecular weight of 459.50 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine is sourced from PubChem (CID 164962191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).