9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene

C41H30 — CID 59195155

IUPAC9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C41H30/c1-41(2)37-20-12-11-17-31(37)35-26-30(22-24-38(35)41)40-33-19-10-9-18-32(33)39(28-15-7-4-8-16-28)34-23-21-29(25-36(34)40)27-13-5-3-6-14-27/h3-26H,1-2H3
InChIKeyHESHMDAOIZLFKB-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.30
Rot. Bonds3

About 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene

9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene (PubChem CID 59195155) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
PubChem CID59195155
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C41H30/c1-41(2)37-20-12-11-17-31(37)35-26-30(22-24-38(35)41)40-33-19-10-9-18-32(33)39(28-15-7-4-8-16-28)34-23-21-29(25-36(34)40)27-13-5-3-6-14-27/h3-26H,1-2H3
InChIKeyHESHMDAOIZLFKB-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 123220371
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene (CID 59195155) is 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5ccccc5)cc34)ccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene?
The InChIKey is HESHMDAOIZLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-41(2)37-20-12-11-17-31(37)35-26-30(22-24-38(35)41)40-33-19-10-9-18-32(33)39(28-15-7-4-8-16-28)34-23-21-29(25-36(34)40)27-13-5-3-6-14-27/h3-26H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene?
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene has a molecular weight of 522.69 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene is sourced from PubChem (CID 59195155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).