2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran

C102H68O2 — CID 159493437

IUPAC2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran
SMILESCC1(C)c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)c2-c2c1ccc1ccccc21
InChIInChI=1S/2C51H34O/c1-51(2)43-23-12-22-41(50(43)49-35-16-4-3-13-31(35)25-27-44(49)51)48-39-20-7-5-18-37(39)47(38-19-6-8-21-40(38)48)34-15-11-14-32(29-34)33-26-28-46-42(30-33)36-17-9-10-24-45(36)52-46;1-51(2)43-20-11-19-41(50(43)49-35-13-4-3-12-32(35)26-28-44(49)51)48-39-17-7-5-15-37(39)47(38-16-6-8-18-40(38)48)33-24-22-31(23-25-33)34-27-29-46-42(30-34)36-14-9-10-21-45(36)52-46/h2*3-30H,1-2H3
InChIKeyLYMCCYXPCJPYBA-UHFFFAOYSA-N
MW1325.66 g/mol
LogP28.71
Rot. Bonds6

About 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran

2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 159493437) has the molecular formula C102H68O2 and a molecular weight of 1325.66 g/mol. Its IUPAC name is 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran
PubChem CID159493437
Molecular FormulaC102H68O2
Molecular Weight1325.66 g/mol
Exact Mass1324.52
IUPAC Name2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran
SMILESCC1(C)c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)c2-c2c1ccc1ccccc21
InChIInChI=1S/2C51H34O/c1-51(2)43-23-12-22-41(50(43)49-35-16-4-3-13-31(35)25-27-44(49)51)48-39-20-7-5-18-37(39)47(38-19-6-8-21-40(38)48)34-15-11-14-32(29-34)33-26-28-46-42(30-33)36-17-9-10-24-45(36)52-46;1-51(2)43-20-11-19-41(50(43)49-35-13-4-3-12-32(35)26-28-44(49)51)48-39-17-7-5-15-37(39)47(38-16-6-8-18-40(38)48)33-24-22-31(23-25-33)34-27-29-46-42(30-34)36-14-9-10-21-45(36)52-46/h2*3-30H,1-2H3
InChIKeyLYMCCYXPCJPYBA-UHFFFAOYSA-N
XLogP28.71
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.66
LogP ≤ 528.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran 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-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 157414315
2-[4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 121420972
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 161035826
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 159882490
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene;6-phenyl-16-(10-phenylanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;6,6,12,12-tetramethyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 158585976
2-[2-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-8-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene
CID 158635217
2-[10-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]dibenzofuran;8-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-7,7-dimethylbenzo[c]fluorene
CID 158955634
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122426146
5-[10-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;2-[10-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 161089842
2-[3-[10-[4-(21,21-dimethyl-16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421517

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran (CID 159493437) is 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran is CC1(C)c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)c2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is LYMCCYXPCJPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H34O/c1-51(2)43-23-12-22-41(50(43)49-35-16-4-3-13-31(35)25-27-44(49)51)48-39-20-7-5-18-37(39)47(38-19-6-8-21-40(38)48)34-15-11-14-32(29-34)33-26-28-46-42(30-33)36-17-9-10-24-45(36)52-46;1-51(2)43-20-11-19-41(50(43)49-35-13-4-3-12-32(35)26-28-44(49)51)48-39-17-7-5-15-37(39)47(38-16-6-8-18-40(38)48)33-24-22-31(23-25-33)34-27-29-46-42(30-34)36-14-9-10-21-45(36)52-46/h2*3-30H,1-2H3.
What are the key properties of 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran?
2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 1325.66 g/mol, XLogP of 28.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 159493437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).