2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene

C56H40 — CID 123157608

IUPAC2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc24)cc1C3(C)C
InChIInChI=1S/C56H40/c1-55(2)49-24-14-13-19-39(49)46-31-52-47(32-51(46)55)40-26-25-35(30-50(40)56(52,3)4)53-41-20-9-11-22-43(41)54(44-23-12-10-21-42(44)53)48-29-36-27-33-15-5-6-16-34(33)28-45(36)37-17-7-8-18-38(37)48/h5-32H,1-4H3
InChIKeyXNFDOVAERDTCDQ-UHFFFAOYSA-N
MW712.94 g/mol
LogP15.40
Rot. Bonds2

About 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene

2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene (PubChem CID 123157608) has the molecular formula C56H40 and a molecular weight of 712.94 g/mol. Its IUPAC name is 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
PubChem CID123157608
Molecular FormulaC56H40
Molecular Weight712.94 g/mol
Exact Mass712.31
IUPAC Name2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc24)cc1C3(C)C
InChIInChI=1S/C56H40/c1-55(2)49-24-14-13-19-39(49)46-31-52-47(32-51(46)55)40-26-25-35(30-50(40)56(52,3)4)53-41-20-9-11-22-43(41)54(44-23-12-10-21-42(44)53)48-29-36-27-33-15-5-6-16-34(33)28-45(36)37-17-7-8-18-38(37)48/h5-32H,1-4H3
InChIKeyXNFDOVAERDTCDQ-UHFFFAOYSA-N
XLogP15.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-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

2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene
CID 160542910
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
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
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-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
11,11-dimethyl-3-(10-phenanthren-9-ylanthracen-9-yl)benzo[b]fluorene
CID 140724348
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994

Frequently Asked Questions

What is the IUPAC name of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
The IUPAC name of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene (CID 123157608) is 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene.
What is the SMILES notation for 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
The canonical SMILES for 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4cc5cc6ccccc6cc5c5ccccc45)c4ccccc24)cc1C3(C)C.
What is the InChIKey of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
The InChIKey is XNFDOVAERDTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40/c1-55(2)49-24-14-13-19-39(49)46-31-52-47(32-51(46)55)40-26-25-35(30-50(40)56(52,3)4)53-41-20-9-11-22-43(41)54(44-23-12-10-21-42(44)53)48-29-36-27-33-15-5-6-16-34(33)28-45(36)37-17-7-8-18-38(37)48/h5-32H,1-4H3.
What are the key properties of 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene has a molecular weight of 712.94 g/mol, XLogP of 15.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene is sourced from PubChem (CID 123157608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).