3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine

C49H37N — CID 59195576

IUPAC3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccnc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21
InChIInChI=1S/C49H37N/c1-48(2)42-20-10-8-17-38(42)47-39(18-11-21-43(47)48)46-36-16-6-5-15-35(36)45(32-13-12-26-50-29-32)37-25-23-30(27-40(37)46)31-22-24-34-33-14-7-9-19-41(33)49(3,4)44(34)28-31/h5-29H,1-4H3
InChIKeyDUAHYZCJJIAIPQ-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.00
Rot. Bonds3

About 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine

3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine (PubChem CID 59195576) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
PubChem CID59195576
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccnc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21
InChIInChI=1S/C49H37N/c1-48(2)42-20-10-8-17-38(42)47-39(18-11-21-43(47)48)46-36-16-6-5-15-35(36)45(32-13-12-26-50-29-32)37-25-23-30(27-40(37)46)31-22-24-34-33-14-7-9-19-41(33)49(3,4)44(34)28-31/h5-29H,1-4H3
InChIKeyDUAHYZCJJIAIPQ-UHFFFAOYSA-N
XLogP13.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline
CID 59196564
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
9-(9,9-dimethylfluoren-2-yl)-10-phenanthren-9-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;3-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 160829981

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine?
The IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine (CID 59195576) is 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine.
What is the SMILES notation for 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine?
The canonical SMILES for 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccnc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21.
What is the InChIKey of 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine?
The InChIKey is DUAHYZCJJIAIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-48(2)42-20-10-8-17-38(42)47-39(18-11-21-43(47)48)46-36-16-6-5-15-35(36)45(32-13-12-26-50-29-32)37-25-23-30(27-40(37)46)31-22-24-34-33-14-7-9-19-41(33)49(3,4)44(34)28-31/h5-29H,1-4H3.
What are the key properties of 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine?
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine has a molecular weight of 639.84 g/mol, XLogP of 13.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine is sourced from PubChem (CID 59195576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).