2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene

C45H41N — CID 142353650

IUPAC2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene
SMILESC=CC.CC.CC1(C)c2ccccc2-c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cn3)cccc21
InChIInChI=1S/C40H29N.C3H6.C2H6/c1-40(2)34-21-11-10-19-32(34)39-33(20-12-22-35(39)40)36-24-23-27(25-41-36)38-30-17-8-6-15-28(30)37(26-13-4-3-5-14-26)29-16-7-9-18-31(29)38;1-3-2;1-2/h3-25H,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyUNQJDKUITHQAIT-UHFFFAOYSA-N
MW595.83 g/mol
LogP12.91
Rot. Bonds3

About 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene

2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene (PubChem CID 142353650) has the molecular formula C45H41N and a molecular weight of 595.83 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene
PubChem CID142353650
Molecular FormulaC45H41N
Molecular Weight595.83 g/mol
Exact Mass595.32
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene
SMILESC=CC.CC.CC1(C)c2ccccc2-c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cn3)cccc21
InChIInChI=1S/C40H29N.C3H6.C2H6/c1-40(2)34-21-11-10-19-32(34)39-33(20-12-22-35(39)40)36-24-23-27(25-41-36)38-30-17-8-6-15-28(30)37(26-13-4-3-5-14-26)29-16-7-9-18-31(29)38;1-3-2;1-2/h3-25H,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyUNQJDKUITHQAIT-UHFFFAOYSA-N
XLogP12.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine
CID 134531010
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
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
9,9,14,14-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
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
CID 59195576
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene (CID 142353650) is 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene is C=CC.CC.CC1(C)c2ccccc2-c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cn3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene?
The InChIKey is UNQJDKUITHQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N.C3H6.C2H6/c1-40(2)34-21-11-10-19-32(34)39-33(20-12-22-35(39)40)36-24-23-27(25-41-36)38-30-17-8-6-15-28(30)37(26-13-4-3-5-14-26)29-16-7-9-18-31(29)38;1-3-2;1-2/h3-25H,1-2H3;3H,1H2,2H3;1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene?
2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene has a molecular weight of 595.83 g/mol, XLogP of 12.91, 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-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene is sourced from PubChem (CID 142353650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).