9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene

C58H42 — CID 58905940

IUPAC9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6cc6ccccc56)ccc3-4)ccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21
InChIInChI=1S/C58H42/c1-57(2)51-31-35(21-25-47(51)49-27-23-41(33-53(49)57)55-43-17-9-5-13-37(43)29-38-14-6-10-18-44(38)55)36-22-26-48-50-28-24-42(34-54(50)58(3,4)52(48)32-36)56-45-19-11-7-15-39(45)30-40-16-8-12-20-46(40)56/h5-34H,1-4H3
InChIKeyWLOQQJBSLDBPLB-UHFFFAOYSA-N
MW738.97 g/mol
LogP15.91
Rot. Bonds3

About 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene

9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene (PubChem CID 58905940) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
PubChem CID58905940
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6cc6ccccc56)ccc3-4)ccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21
InChIInChI=1S/C58H42/c1-57(2)51-31-35(21-25-47(51)49-27-23-41(33-53(49)57)55-43-17-9-5-13-37(43)29-38-14-6-10-18-44(38)55)36-22-26-48-50-28-24-42(34-54(50)58(3,4)52(48)32-36)56-45-19-11-7-15-39(45)30-40-16-8-12-20-46(40)56/h5-34H,1-4H3
InChIKeyWLOQQJBSLDBPLB-UHFFFAOYSA-N
XLogP15.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 515.91
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

14-(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 123741068
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene
CID 160689526
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175364
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
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239

Frequently Asked Questions

What is the IUPAC name of 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene?
The IUPAC name of 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene (CID 58905940) is 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene.
What is the SMILES notation for 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene?
The canonical SMILES for 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6cc6ccccc56)ccc3-4)ccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21.
What is the InChIKey of 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene?
The InChIKey is WLOQQJBSLDBPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42/c1-57(2)51-31-35(21-25-47(51)49-27-23-41(33-53(49)57)55-43-17-9-5-13-37(43)29-38-14-6-10-18-44(38)55)36-22-26-48-50-28-24-42(34-54(50)58(3,4)52(48)32-36)56-45-19-11-7-15-39(45)30-40-16-8-12-20-46(40)56/h5-34H,1-4H3.
What are the key properties of 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene?
9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene has a molecular weight of 738.97 g/mol, XLogP of 15.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene is sourced from PubChem (CID 58905940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).