3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine

C127H91N7O2S2 — CID 159022916

IUPAC3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine
SMILESCc1cccc2c1-c1ccc(-c3cccnc3)cc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1c1cc(-c3cccnc3)ccc1n2-c1ccccc1.Cc1cccc2oc3cc(-c4cccnc4)ccc3c12.Cc1cccc2oc3ccc(-c4cccnc4)cc3c12.Cc1cccc2sc3cc(-c4cccnc4)ccc3c12.Cc1cccc2sc3ccc(-c4cccnc4)cc3c12
InChIInChI=1S/C31H21N.C24H18N2.2C18H13NO.2C18H13NS/c1-20-8-6-14-28-30(20)25-16-15-21(22-9-7-17-32-19-22)18-29(25)31(28)26-12-4-2-10-23(26)24-11-3-5-13-27(24)31;1-17-7-5-11-23-24(17)21-15-18(19-8-6-14-25-16-19)12-13-22(21)26(23)20-9-3-2-4-10-20;1-12-4-2-6-17-18(12)15-10-13(7-8-16(15)20-17)14-5-3-9-19-11-14;1-12-4-2-6-16-18(12)15-8-7-13(10-17(15)20-16)14-5-3-9-19-11-14;1-12-4-2-6-17-18(12)15-10-13(7-8-16(15)20-17)14-5-3-9-19-11-14;1-12-4-2-6-16-18(12)15-8-7-13(10-17(15)20-16)14-5-3-9-19-11-14/h2-19H,1H3;2-16H,1H3;4*2-11H,1H3
InChIKeyJTXPUSPDWYULAW-UHFFFAOYSA-N
MW1811.31 g/mol
LogP34.32
Rot. Bonds7

About 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine

3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine (PubChem CID 159022916) has the molecular formula C127H91N7O2S2 and a molecular weight of 1811.31 g/mol. Its IUPAC name is 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine.

Molecular Properties

Compound Name3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine
PubChem CID159022916
Molecular FormulaC127H91N7O2S2
Molecular Weight1811.31 g/mol
Exact Mass1809.67
IUPAC Name3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine
SMILESCc1cccc2c1-c1ccc(-c3cccnc3)cc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1c1cc(-c3cccnc3)ccc1n2-c1ccccc1.Cc1cccc2oc3cc(-c4cccnc4)ccc3c12.Cc1cccc2oc3ccc(-c4cccnc4)cc3c12.Cc1cccc2sc3cc(-c4cccnc4)ccc3c12.Cc1cccc2sc3ccc(-c4cccnc4)cc3c12
InChIInChI=1S/C31H21N.C24H18N2.2C18H13NO.2C18H13NS/c1-20-8-6-14-28-30(20)25-16-15-21(22-9-7-17-32-19-22)18-29(25)31(28)26-12-4-2-10-23(26)24-11-3-5-13-27(24)31;1-17-7-5-11-23-24(17)21-15-18(19-8-6-14-25-16-19)12-13-22(21)26(23)20-9-3-2-4-10-20;1-12-4-2-6-17-18(12)15-10-13(7-8-16(15)20-17)14-5-3-9-19-11-14;1-12-4-2-6-16-18(12)15-8-7-13(10-17(15)20-16)14-5-3-9-19-11-14;1-12-4-2-6-17-18(12)15-10-13(7-8-16(15)20-17)14-5-3-9-19-11-14;1-12-4-2-6-16-18(12)15-8-7-13(10-17(15)20-16)14-5-3-9-19-11-14/h2-19H,1H3;2-16H,1H3;4*2-11H,1H3
InChIKeyJTXPUSPDWYULAW-UHFFFAOYSA-N
XLogP34.32
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001811.31
LogP ≤ 534.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine with MolForge

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Related Compounds

3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 160893778
3-dibenzofuran-3-yl-5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3-dibenzothiophen-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3-(9,9-diphenylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 161433846
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
3-[8-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768597
3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768114
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003162
3-dibenzofuran-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-(3,5-diphenylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6,9-diphenylcarbazole;8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenylpyrido[3,2-b]indole;8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenylpyrimido[5,4-b]indole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 161235535
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768583
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002415
9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine?
The IUPAC name of 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine (CID 159022916) is 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine.
What is the SMILES notation for 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine?
The canonical SMILES for 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine is Cc1cccc2c1-c1ccc(-c3cccnc3)cc1C21c2ccccc2-c2ccccc21.Cc1cccc2c1c1cc(-c3cccnc3)ccc1n2-c1ccccc1.Cc1cccc2oc3cc(-c4cccnc4)ccc3c12.Cc1cccc2oc3ccc(-c4cccnc4)cc3c12.Cc1cccc2sc3cc(-c4cccnc4)ccc3c12.Cc1cccc2sc3ccc(-c4cccnc4)cc3c12.
What is the InChIKey of 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine?
The InChIKey is JTXPUSPDWYULAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N.C24H18N2.2C18H13NO.2C18H13NS/c1-20-8-6-14-28-30(20)25-16-15-21(22-9-7-17-32-19-22)18-29(25)31(28)26-12-4-2-10-23(26)24-11-3-5-13-27(24)31;1-17-7-5-11-23-24(17)21-15-18(19-8-6-14-25-16-19)12-13-22(21)26(23)20-9-3-2-4-10-20;1-12-4-2-6-17-18(12)15-10-13(7-8-16(15)20-17)14-5-3-9-19-11-14;1-12-4-2-6-16-18(12)15-8-7-13(10-17(15)20-16)14-5-3-9-19-11-14;1-12-4-2-6-17-18(12)15-10-13(7-8-16(15)20-17)14-5-3-9-19-11-14;1-12-4-2-6-16-18(12)15-8-7-13(10-17(15)20-16)14-5-3-9-19-11-14/h2-19H,1H3;2-16H,1H3;4*2-11H,1H3.
What are the key properties of 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine?
3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine has a molecular weight of 1811.31 g/mol, XLogP of 34.32, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyldibenzofuran-2-yl)pyridine;3-(9-methyldibenzofuran-3-yl)pyridine;3-(9-methyldibenzothiophen-2-yl)pyridine;3-(9-methyldibenzothiophen-3-yl)pyridine;5-methyl-9-phenyl-3-pyridin-3-ylcarbazole;3-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyridine is sourced from PubChem (CID 159022916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).