9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene

C53H42 — CID 123895448

IUPAC9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12
InChIInChI=1S/C53H42/c1-52(2,3)51-44-25-14-13-24-42(44)50(49-40-22-11-9-20-38(40)48(33-17-7-6-8-18-33)39-21-10-12-23-41(39)49)43-30-28-34(31-45(43)51)35-27-29-37-36-19-15-16-26-46(36)53(4,5)47(37)32-35/h6-32H,1-5H3
InChIKeyLUIJNXNPFGZFLO-UHFFFAOYSA-N
MW678.92 g/mol
LogP14.90
Rot. Bonds3

About 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene

9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene (PubChem CID 123895448) has the molecular formula C53H42 and a molecular weight of 678.92 g/mol. Its IUPAC name is 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene.

Molecular Properties

Compound Name9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene
PubChem CID123895448
Molecular FormulaC53H42
Molecular Weight678.92 g/mol
Exact Mass678.33
IUPAC Name9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12
InChIInChI=1S/C53H42/c1-52(2,3)51-44-25-14-13-24-42(44)50(49-40-22-11-9-20-38(40)48(33-17-7-6-8-18-33)39-21-10-12-23-41(39)49)43-30-28-34(31-45(43)51)35-27-29-37-36-19-15-16-26-46(36)53(4,5)47(37)32-35/h6-32H,1-5H3
InChIKeyLUIJNXNPFGZFLO-UHFFFAOYSA-N
XLogP14.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.92
LogP ≤ 514.90
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-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
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-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
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-(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
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene?
The IUPAC name of 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene (CID 123895448) is 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene.
What is the SMILES notation for 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene?
The canonical SMILES for 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene is CC(C)(C)c1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12.
What is the InChIKey of 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene?
The InChIKey is LUIJNXNPFGZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42/c1-52(2,3)51-44-25-14-13-24-42(44)50(49-40-22-11-9-20-38(40)48(33-17-7-6-8-18-33)39-21-10-12-23-41(39)49)43-30-28-34(31-45(43)51)35-27-29-37-36-19-15-16-26-46(36)53(4,5)47(37)32-35/h6-32H,1-5H3.
What are the key properties of 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene?
9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene has a molecular weight of 678.92 g/mol, XLogP of 14.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene is sourced from PubChem (CID 123895448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).