3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine

C42H43N — CID 70898781

IUPAC3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine
SMILESCCC(CC)(c1cccnc1)c1ccc2c(c1)C(C)(C)c1cc(C(C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1-2
InChIInChI=1S/C42H43N/c1-8-42(9-2,31-13-12-22-43-26-31)30-18-21-35-34-20-17-29(24-38(34)41(6,7)39(35)25-30)27(3)28-16-19-33-32-14-10-11-15-36(32)40(4,5)37(33)23-28/h10-27H,8-9H2,1-7H3
InChIKeyROSKFOFNNHIBTF-UHFFFAOYSA-N
MW561.81 g/mol
LogP10.95
Rot. Bonds6

About 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine

3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine (PubChem CID 70898781) has the molecular formula C42H43N and a molecular weight of 561.81 g/mol. Its IUPAC name is 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine.

Molecular Properties

Compound Name3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine
PubChem CID70898781
Molecular FormulaC42H43N
Molecular Weight561.81 g/mol
Exact Mass561.34
IUPAC Name3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine
SMILESCCC(CC)(c1cccnc1)c1ccc2c(c1)C(C)(C)c1cc(C(C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1-2
InChIInChI=1S/C42H43N/c1-8-42(9-2,31-13-12-22-43-26-31)30-18-21-35-34-20-17-29(24-38(34)41(6,7)39(35)25-30)27(3)28-16-19-33-32-14-10-11-15-36(32)40(4,5)37(33)23-28/h10-27H,8-9H2,1-7H3
InChIKeyROSKFOFNNHIBTF-UHFFFAOYSA-N
XLogP10.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.81
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
CID 90463480
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene
CID 144876651
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
CID 171861016
4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]
CID 143306928
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
CID 59195576
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine
CID 58389700

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine?
The IUPAC name of 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine (CID 70898781) is 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine.
What is the SMILES notation for 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine?
The canonical SMILES for 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine is CCC(CC)(c1cccnc1)c1ccc2c(c1)C(C)(C)c1cc(C(C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1-2.
What is the InChIKey of 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine?
The InChIKey is ROSKFOFNNHIBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N/c1-8-42(9-2,31-13-12-22-43-26-31)30-18-21-35-34-20-17-29(24-38(34)41(6,7)39(35)25-30)27(3)28-16-19-33-32-14-10-11-15-36(32)40(4,5)37(33)23-28/h10-27H,8-9H2,1-7H3.
What are the key properties of 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine?
3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine has a molecular weight of 561.81 g/mol, XLogP of 10.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine is sourced from PubChem (CID 70898781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).