2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine

C42H23NO — CID 129309071

IUPAC2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C35c6ccccc6-c6ccc7c(c63)-c3c(ccc-4c35)Oc3ccccc3-7)cc2)nc1
InChIInChI=1S/C42H23NO/c1-3-9-33-27(7-1)31-19-18-30-29-8-2-4-11-36(29)44-37-21-20-32-28-17-16-26(23-34(28)42(33)40(31)38(30)39(37)41(32)42)24-12-14-25(15-13-24)35-10-5-6-22-43-35/h1-23H
InChIKeySDMSSBFYXLCEDN-UHFFFAOYSA-N
MW557.65 g/mol
LogP10.51
Rot. Bonds2

About 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine

2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine (PubChem CID 129309071) has the molecular formula C42H23NO and a molecular weight of 557.65 g/mol. Its IUPAC name is 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine
PubChem CID129309071
Molecular FormulaC42H23NO
Molecular Weight557.65 g/mol
Exact Mass557.18
IUPAC Name2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C35c6ccccc6-c6ccc7c(c63)-c3c(ccc-4c35)Oc3ccccc3-7)cc2)nc1
InChIInChI=1S/C42H23NO/c1-3-9-33-27(7-1)31-19-18-30-29-8-2-4-11-36(29)44-37-21-20-32-28-17-16-26(23-34(28)42(33)40(31)38(30)39(37)41(32)42)24-12-14-25(15-13-24)35-10-5-6-22-43-35/h1-23H
InChIKeySDMSSBFYXLCEDN-UHFFFAOYSA-N
XLogP10.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine with MolForge

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Related Compounds

4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
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2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629683
12-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030590
2-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
CID 138573747
2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
CID 138574268
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine?
The IUPAC name of 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine (CID 129309071) is 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine?
The canonical SMILES for 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine is c1ccc(-c2ccc(-c3ccc4c(c3)C35c6ccccc6-c6ccc7c(c63)-c3c(ccc-4c35)Oc3ccccc3-7)cc2)nc1.
What is the InChIKey of 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine?
The InChIKey is SDMSSBFYXLCEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NO/c1-3-9-33-27(7-1)31-19-18-30-29-8-2-4-11-36(29)44-37-21-20-32-28-17-16-26(23-34(28)42(33)40(31)38(30)39(37)41(32)42)24-12-14-25(15-13-24)35-10-5-6-22-43-35/h1-23H.
What are the key properties of 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine?
2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine has a molecular weight of 557.65 g/mol, XLogP of 10.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(25-oxanonacyclo[13.13.4.02,7.08,29.08,32.09,14.018,31.019,24.026,30]dotriaconta-1(29),2(7),3,5,9,11,13,15(32),16,18(31),19,21,23,26(30),27-pentadecaen-5-yl)phenyl]pyridine is sourced from PubChem (CID 129309071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).