2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine

C47H32N4 — CID 118895356

IUPAC2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine
SMILESCc1ncccc1-c1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4cccc(-c5cccnc5C)n4)ccc2-3)n1
InChIInChI=1S/C47H32N4/c1-29-33(13-9-25-48-29)45-19-7-17-43(50-45)31-21-23-37-38-24-22-32(44-18-8-20-46(51-44)34-14-10-26-49-30(34)2)28-42(38)47(41(37)27-31)39-15-5-3-11-35(39)36-12-4-6-16-40(36)47/h3-28H,1-2H3
InChIKeyNLHWIZLIQWWGCT-UHFFFAOYSA-N
MW652.80 g/mol
LogP10.89
Rot. Bonds4

About 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine

2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine (PubChem CID 118895356) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine
PubChem CID118895356
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine
SMILESCc1ncccc1-c1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4cccc(-c5cccnc5C)n4)ccc2-3)n1
InChIInChI=1S/C47H32N4/c1-29-33(13-9-25-48-29)45-19-7-17-43(50-45)31-21-23-37-38-24-22-32(44-18-8-20-46(51-44)34-14-10-26-49-30(34)2)28-42(38)47(41(37)27-31)39-15-5-3-11-35(39)36-12-4-6-16-40(36)47/h3-28H,1-2H3
InChIKeyNLHWIZLIQWWGCT-UHFFFAOYSA-N
XLogP10.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2-(4-methylphenyl)-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261417
2-[3-(6-phenyl-2-pyridinyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)-6-[3-[6-(4-tritiophenyl)-2-pyridinyl]phenyl]-1,3,5-triazine
CID 162483893
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
CID 166685227
4-(4-methylphenyl)-6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130260899
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
5-[6-[3-[3-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-2-pyridinyl]pyrimidine
CID 155116782
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
1,3-dimethyl-2-(2-methylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 58991322
2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine
CID 58233388
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-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine (CID 118895356) is 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine is Cc1ncccc1-c1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4cccc(-c5cccnc5C)n4)ccc2-3)n1.
What is the InChIKey of 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine?
The InChIKey is NLHWIZLIQWWGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-29-33(13-9-25-48-29)45-19-7-17-43(50-45)31-21-23-37-38-24-22-32(44-18-8-20-46(51-44)34-14-10-26-49-30(34)2)28-42(38)47(41(37)27-31)39-15-5-3-11-35(39)36-12-4-6-16-40(36)47/h3-28H,1-2H3.
What are the key properties of 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine?
2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine has a molecular weight of 652.80 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 118895356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).