2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine

C46H36N2 — CID 58881166

IUPAC2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(-c6ccccn6)cccc5-c5ccccn5)ccc3-4)cc21
InChIInChI=1S/C46H36N2/c1-45(2)38-15-6-5-12-32(38)33-21-18-29(26-39(33)45)30-19-22-34-35-23-20-31(28-41(35)46(3,4)40(34)27-30)44-36(42-16-7-9-24-47-42)13-11-14-37(44)43-17-8-10-25-48-43/h5-28H,1-4H3
InChIKeyIWJHBWOTUVSSOF-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.76
Rot. Bonds4

About 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine

2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine (PubChem CID 58881166) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
PubChem CID58881166
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(-c6ccccn6)cccc5-c5ccccn5)ccc3-4)cc21
InChIInChI=1S/C46H36N2/c1-45(2)38-15-6-5-12-32(38)33-21-18-29(26-39(33)45)30-19-22-34-35-23-20-31(28-41(35)46(3,4)40(34)27-30)44-36(42-16-7-9-24-47-42)13-11-14-37(44)43-17-8-10-25-48-43/h5-28H,1-4H3
InChIKeyIWJHBWOTUVSSOF-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine with MolForge

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Related Compounds

2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
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
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
CID 166685227
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine
CID 129095490

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine (CID 58881166) is 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(-c6ccccn6)cccc5-c5ccccn5)ccc3-4)cc21.
What is the InChIKey of 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine?
The InChIKey is IWJHBWOTUVSSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-45(2)38-15-6-5-12-32(38)33-21-18-29(26-39(33)45)30-19-22-34-35-23-20-31(28-41(35)46(3,4)40(34)27-30)44-36(42-16-7-9-24-47-42)13-11-14-37(44)43-17-8-10-25-48-43/h5-28H,1-4H3.
What are the key properties of 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine?
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine has a molecular weight of 616.81 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 58881166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).