4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine

C46H33N — CID 130355500

IUPAC4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccccc34)cc21
InChIInChI=1S/C46H33N/c1-46(2)40-24-14-13-19-34(40)35-26-25-32(27-41(35)46)44-36-20-9-11-22-38(36)45(39-23-12-10-21-37(39)44)33-28-42(30-15-5-3-6-16-30)47-43(29-33)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeyXQDRWJBZCJQNOR-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.36
Rot. Bonds4

About 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine

4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine (PubChem CID 130355500) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
PubChem CID130355500
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC Name4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccccc34)cc21
InChIInChI=1S/C46H33N/c1-46(2)40-24-14-13-19-34(40)35-26-25-32(27-41(35)46)44-36-20-9-11-22-38(36)45(39-23-12-10-21-37(39)44)33-28-42(30-15-5-3-6-16-30)47-43(29-33)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeyXQDRWJBZCJQNOR-UHFFFAOYSA-N
XLogP12.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 512.36
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

9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine?
The IUPAC name of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine (CID 130355500) is 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccccc34)cc21.
What is the InChIKey of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine?
The InChIKey is XQDRWJBZCJQNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-46(2)40-24-14-13-19-34(40)35-26-25-32(27-41(35)46)44-36-20-9-11-22-38(36)45(39-23-12-10-21-37(39)44)33-28-42(30-15-5-3-6-16-30)47-43(29-33)31-17-7-4-8-18-31/h3-29H,1-2H3.
What are the key properties of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine?
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine has a molecular weight of 599.78 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine is sourced from PubChem (CID 130355500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).