6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline

C40H31N — CID 59194985

IUPAC6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline
SMILESCc1ccc2c(-c3ccc4nc(C)ccc4c3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C40H31N/c1-24-13-18-33-34(21-24)39(28-16-19-30-29-9-7-8-12-35(29)40(3,4)36(30)23-28)32-11-6-5-10-31(32)38(33)27-17-20-37-26(22-27)15-14-25(2)41-37/h5-23H,1-4H3
InChIKeyVDYFASFTDYJAHR-UHFFFAOYSA-N
MW525.70 g/mol
LogP10.80
Rot. Bonds2

About 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline

6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline (PubChem CID 59194985) has the molecular formula C40H31N and a molecular weight of 525.70 g/mol. Its IUPAC name is 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline.

Molecular Properties

Compound Name6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline
PubChem CID59194985
Molecular FormulaC40H31N
Molecular Weight525.70 g/mol
Exact Mass525.25
IUPAC Name6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline
SMILESCc1ccc2c(-c3ccc4nc(C)ccc4c3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C40H31N/c1-24-13-18-33-34(21-24)39(28-16-19-30-29-9-7-8-12-35(29)40(3,4)36(30)23-28)32-11-6-5-10-31(32)38(33)27-17-20-37-26(22-27)15-14-25(2)41-37/h5-23H,1-4H3
InChIKeyVDYFASFTDYJAHR-UHFFFAOYSA-N
XLogP10.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 510.80
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-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
CID 59195935
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine
CID 59195530
9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 145474396
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824

Frequently Asked Questions

What is the IUPAC name of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline?
The IUPAC name of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline (CID 59194985) is 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline.
What is the SMILES notation for 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline?
The canonical SMILES for 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline is Cc1ccc2c(-c3ccc4nc(C)ccc4c3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline?
The InChIKey is VDYFASFTDYJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N/c1-24-13-18-33-34(21-24)39(28-16-19-30-29-9-7-8-12-35(29)40(3,4)36(30)23-28)32-11-6-5-10-31(32)38(33)27-17-20-37-26(22-27)15-14-25(2)41-37/h5-23H,1-4H3.
What are the key properties of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline?
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline has a molecular weight of 525.70 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline is sourced from PubChem (CID 59194985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).