9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene

C47H36 — CID 59195935

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5ccccc5c4)ccc23)c(C)c1
InChIInChI=1S/C47H36/c1-29-17-22-36(30(2)25-29)46-40-15-8-7-14-39(40)45(35-21-23-38-37-13-9-10-16-43(37)47(3,4)44(38)28-35)42-27-34(20-24-41(42)46)33-19-18-31-11-5-6-12-32(31)26-33/h5-28H,1-4H3
InChIKeyQMTNNYUATHNXGQ-UHFFFAOYSA-N
MW600.81 g/mol
LogP13.07
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene (PubChem CID 59195935) has the molecular formula C47H36 and a molecular weight of 600.81 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
PubChem CID59195935
Molecular FormulaC47H36
Molecular Weight600.81 g/mol
Exact Mass600.28
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5ccccc5c4)ccc23)c(C)c1
InChIInChI=1S/C47H36/c1-29-17-22-36(30(2)25-29)46-40-15-8-7-14-39(40)45(35-21-23-38-37-13-9-10-16-43(37)47(3,4)44(38)28-35)42-27-34(20-24-41(42)46)33-19-18-31-11-5-6-12-32(31)26-33/h5-28H,1-4H3
InChIKeyQMTNNYUATHNXGQ-UHFFFAOYSA-N
XLogP13.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 513.07
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

2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223
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
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
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-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene (CID 59195935) is 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5ccccc5c4)ccc23)c(C)c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene?
The InChIKey is QMTNNYUATHNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36/c1-29-17-22-36(30(2)25-29)46-40-15-8-7-14-39(40)45(35-21-23-38-37-13-9-10-16-43(37)47(3,4)44(38)28-35)42-27-34(20-24-41(42)46)33-19-18-31-11-5-6-12-32(31)26-33/h5-28H,1-4H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene?
9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene has a molecular weight of 600.81 g/mol, XLogP of 13.07, 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-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene is sourced from PubChem (CID 59195935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).