2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine

C40H29N — CID 134531010

IUPAC2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cn3)c21
InChIInChI=1S/C40H29N/c1-40(2)35-22-11-10-15-28(35)33-20-12-21-34(39(33)40)36-24-23-27(25-41-36)38-31-18-8-6-16-29(31)37(26-13-4-3-5-14-26)30-17-7-9-19-32(30)38/h3-25H,1-2H3
InChIKeyWDQBVIZQKOKEJZ-UHFFFAOYSA-N
MW523.68 g/mol
LogP10.70
Rot. Bonds3

About 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine

2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine (PubChem CID 134531010) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine
PubChem CID134531010
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cn3)c21
InChIInChI=1S/C40H29N/c1-40(2)35-22-11-10-15-28(35)33-20-12-21-34(39(33)40)36-24-23-27(25-41-36)38-31-18-8-6-16-29(31)37(26-13-4-3-5-14-26)30-17-7-9-19-32(30)38/h3-25H,1-2H3
InChIKeyWDQBVIZQKOKEJZ-UHFFFAOYSA-N
XLogP10.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.70
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-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene
CID 142353650
10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
CID 59183637
5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine
CID 157482101
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 161017565
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
5-(10,10-dimethyl-14,21-diphenyl-5-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)-2-pyridin-2-ylpyridine
CID 58411776
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353643
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine (CID 134531010) is 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine is CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cn3)c21.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine?
The InChIKey is WDQBVIZQKOKEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-40(2)35-22-11-10-15-28(35)33-20-12-21-34(39(33)40)36-24-23-27(25-41-36)38-31-18-8-6-16-29(31)37(26-13-4-3-5-14-26)30-17-7-9-19-32(30)38/h3-25H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine?
2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine has a molecular weight of 523.68 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine is sourced from PubChem (CID 134531010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).