11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene

C58H40 — CID 159290426

IUPAC11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C58H40/c1-58(2)53-31-29-42(34-51(53)52-33-39-16-6-7-17-40(39)35-54(52)58)57-47-22-12-10-20-45(47)56(46-21-11-13-23-48(46)57)38-26-24-36(25-27-38)41-28-30-49-50(32-41)43-18-8-9-19-44(43)55(49)37-14-4-3-5-15-37/h3-35,55H,1-2H3
InChIKeyLGLHCYKAQVFBHZ-UHFFFAOYSA-N
MW736.96 g/mol
LogP15.61
Rot. Bonds4

About 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene

11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene (PubChem CID 159290426) has the molecular formula C58H40 and a molecular weight of 736.96 g/mol. Its IUPAC name is 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
PubChem CID159290426
Molecular FormulaC58H40
Molecular Weight736.96 g/mol
Exact Mass736.31
IUPAC Name11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C58H40/c1-58(2)53-31-29-42(34-51(53)52-33-39-16-6-7-17-40(39)35-54(52)58)57-47-22-12-10-20-45(47)56(46-21-11-13-23-48(46)57)38-26-24-36(25-27-38)41-28-30-49-50(32-41)43-18-8-9-19-44(43)55(49)37-14-4-3-5-15-37/h3-35,55H,1-2H3
InChIKeyLGLHCYKAQVFBHZ-UHFFFAOYSA-N
XLogP15.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11,11-dimethyl-3-[10-(9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]benzo[b]fluorene
CID 160532440
21,21-dimethyl-17-[10-(9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 160532441
11,11-dimethyl-3-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724676
11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
CID 156677070
11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 162113284
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
11,11-dimethyl-3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724986
11,11-dimethyl-3-(10-phenanthren-9-ylanthracen-9-yl)benzo[b]fluorene
CID 140724348
11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159335184
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 140724755
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene?
The IUPAC name of 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene (CID 159290426) is 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene.
What is the SMILES notation for 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene?
The canonical SMILES for 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene?
The InChIKey is LGLHCYKAQVFBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40/c1-58(2)53-31-29-42(34-51(53)52-33-39-16-6-7-17-40(39)35-54(52)58)57-47-22-12-10-20-45(47)56(46-21-11-13-23-48(46)57)38-26-24-36(25-27-38)41-28-30-49-50(32-41)43-18-8-9-19-44(43)55(49)37-14-4-3-5-15-37/h3-35,55H,1-2H3.
What are the key properties of 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene?
11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene has a molecular weight of 736.96 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene is sourced from PubChem (CID 159290426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).