2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine

C27H23NO — CID 162485859

IUPAC2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine
SMILESCc1ccc2c(c1)-c1ccccc1Oc1ccc(-c3cc(C(C)C)ccn3)cc1-2
InChIInChI=1S/C27H23NO/c1-17(2)19-12-13-28-25(16-19)20-9-11-27-24(15-20)21-10-8-18(3)14-23(21)22-6-4-5-7-26(22)29-27/h4-17H,1-3H3
InChIKeyYZFXODBZMPUVFN-UHFFFAOYSA-N
MW377.49 g/mol
LogP7.62
Rot. Bonds2

About 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine

2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine (PubChem CID 162485859) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine
PubChem CID162485859
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine
SMILESCc1ccc2c(c1)-c1ccccc1Oc1ccc(-c3cc(C(C)C)ccn3)cc1-2
InChIInChI=1S/C27H23NO/c1-17(2)19-12-13-28-25(16-19)20-9-11-27-24(15-20)21-10-8-18(3)14-23(21)22-6-4-5-7-26(22)29-27/h4-17H,1-3H3
InChIKeyYZFXODBZMPUVFN-UHFFFAOYSA-N
XLogP7.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine with MolForge

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Related Compounds

4-propan-2-yl-2-[18-(4-propan-2-yl-2-pyridinyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]pyridine
CID 156629705
2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
9-(2,7-dimethylfluoren-9-ylidene)xanthene
CID 90710576
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 156686701
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
14-[3-[10-(4-methylphenyl)-9-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-2-yl]-10-(4-propan-2-ylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 167253234
2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
CID 164792300
2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
CID 164792192
4-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)-2-phenyl-6-(2-phenylpyrimidin-5-yl)pyrimidine
CID 134572090

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine (CID 162485859) is 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine is Cc1ccc2c(c1)-c1ccccc1Oc1ccc(-c3cc(C(C)C)ccn3)cc1-2.
What is the InChIKey of 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine?
The InChIKey is YZFXODBZMPUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-17(2)19-12-13-28-25(16-19)20-9-11-27-24(15-20)21-10-8-18(3)14-23(21)22-6-4-5-7-26(22)29-27/h4-17H,1-3H3.
What are the key properties of 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine?
2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine has a molecular weight of 377.49 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 162485859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).