1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene

C93H111N7O5S — CID 160734393

IUPAC1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene
SMILESCOc1ccc(C)cn1.COc1ncccc1C.Cc1cc(C)cc(C)c1.Cc1cc2ccccc2o1.Cc1ccc(C2CCCCC2)cc1.Cc1ccc2ccccc2c1.Cc1cccc(C(=O)N(C)C)c1.Cc1cccnc1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cncnc1
InChIInChI=1S/C13H18.C11H10.C10H13NO.C9H8O.C9H12.2C7H9NO.2C6H7N.C5H6N2.C5H6O.C5H6S/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-4-6-9(7-8)10(12)11(2)3;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-8(2)6-9(3)5-7;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-5-2-3-6-4-5/h7-10,12H,2-6H2,1H3;2-8H,1H3;4-7H,1-3H3;2-6H,1H3;4-6H,1-3H3;2*3-5H,1-2H3;2*2-5H,1H3;2-4H,1H3;2*2-4H,1H3
InChIKeyRUTJSLVZTYKZPN-UHFFFAOYSA-N
MW1439.02 g/mol
LogP24.25
Rot. Bonds4

About 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene

1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene (PubChem CID 160734393) has the molecular formula C93H111N7O5S and a molecular weight of 1439.02 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene
PubChem CID160734393
Molecular FormulaC93H111N7O5S
Molecular Weight1439.02 g/mol
Exact Mass1437.84
IUPAC Name1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene
SMILESCOc1ccc(C)cn1.COc1ncccc1C.Cc1cc(C)cc(C)c1.Cc1cc2ccccc2o1.Cc1ccc(C2CCCCC2)cc1.Cc1ccc2ccccc2c1.Cc1cccc(C(=O)N(C)C)c1.Cc1cccnc1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cncnc1
InChIInChI=1S/C13H18.C11H10.C10H13NO.C9H8O.C9H12.2C7H9NO.2C6H7N.C5H6N2.C5H6O.C5H6S/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-4-6-9(7-8)10(12)11(2)3;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-8(2)6-9(3)5-7;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-5-2-3-6-4-5/h7-10,12H,2-6H2,1H3;2-8H,1H3;4-7H,1-3H3;2-6H,1H3;4-6H,1-3H3;2*3-5H,1-2H3;2*2-5H,1H3;2-4H,1H3;2*2-4H,1H3
InChIKeyRUTJSLVZTYKZPN-UHFFFAOYSA-N
XLogP24.25
TPSA142.39 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.02
LogP ≤ 524.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene with MolForge

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Related Compounds

2-Dibenzofuran-4-yl-5-[5-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine
CID 118477893
2-Dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
CID 118477905
2-Dibenzofuran-4-yl-5-[7-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
CID 118477912
2-Dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine
CID 118477913
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
2-Dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-1-yl]pyrimidine
CID 118477944
5-[5-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477967
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477997
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-(8,9-dihydrodibenzothiophen-4-yl)pyrimidine
CID 137383712
2-Dibenzofuran-4-yl-5-[6-[2-(1,2-dihydrodibenzothiophen-4-yl)pyrimidin-5-yl]naphthalen-2-yl]pyrimidine
CID 137383852
7-Benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
CID 141008286
4-[4-[2-[3,5-bis[2-[4-[4-methyl-5-[7-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)dibenzothiophen-3-yl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-6-[4-[2-[3-[2-[4-[4-methyl-5-[7-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)dibenzothiophen-3-yl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-[4-[4-methyl-5-[7-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-9H-fluoren-2-yl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyrimidine;bis(iridium(3+))
CID 141693358

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene?
The IUPAC name of 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene (CID 160734393) is 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene.
What is the SMILES notation for 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene?
The canonical SMILES for 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene is COc1ccc(C)cn1.COc1ncccc1C.Cc1cc(C)cc(C)c1.Cc1cc2ccccc2o1.Cc1ccc(C2CCCCC2)cc1.Cc1ccc2ccccc2c1.Cc1cccc(C(=O)N(C)C)c1.Cc1cccnc1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cncnc1.
What is the InChIKey of 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene?
The InChIKey is RUTJSLVZTYKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C11H10.C10H13NO.C9H8O.C9H12.2C7H9NO.2C6H7N.C5H6N2.C5H6O.C5H6S/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-4-6-9(7-8)10(12)11(2)3;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-8(2)6-9(3)5-7;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-5-2-3-6-4-5/h7-10,12H,2-6H2,1H3;2-8H,1H3;4-7H,1-3H3;2-6H,1H3;4-6H,1-3H3;2*3-5H,1-2H3;2*2-5H,1H3;2-4H,1H3;2*2-4H,1H3.
What are the key properties of 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene?
1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene has a molecular weight of 1439.02 g/mol, XLogP of 24.25, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylbenzene;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methyl-1-benzofuran;3-methylfuran;2-methylnaphthalene;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;N,N,3-trimethylbenzamide;1,3,5-trimethylbenzene is sourced from PubChem (CID 160734393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).