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

C57H38O — CID 121421272

IUPAC2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4c5ccccc5c(-c5ccccc5-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3)cccc21
InChIInChI=1S/C57H38O/c1-57(2)50-27-14-26-41(56(50)49-32-35-15-3-4-16-36(35)34-51(49)57)37-17-13-18-39(31-37)54-44-22-7-9-24-46(44)55(47-25-10-8-23-45(47)54)43-21-6-5-19-40(43)38-29-30-53-48(33-38)42-20-11-12-28-52(42)58-53/h3-34H,1-2H3
InChIKeyCRHPCQRTJVJIHW-UHFFFAOYSA-N
MW738.93 g/mol
LogP16.02
Rot. Bonds4

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

2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 121421272) has the molecular formula C57H38O and a molecular weight of 738.93 g/mol. Its IUPAC name is 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
PubChem CID121421272
Molecular FormulaC57H38O
Molecular Weight738.93 g/mol
Exact Mass738.29
IUPAC Name2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4c5ccccc5c(-c5ccccc5-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3)cccc21
InChIInChI=1S/C57H38O/c1-57(2)50-27-14-26-41(56(50)49-32-35-15-3-4-16-36(35)34-51(49)57)37-17-13-18-39(31-37)54-44-22-7-9-24-46(44)55(47-25-10-8-23-45(47)54)43-21-6-5-19-40(43)38-29-30-53-48(33-38)42-20-11-12-28-52(42)58-53/h3-34H,1-2H3
InChIKeyCRHPCQRTJVJIHW-UHFFFAOYSA-N
XLogP16.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421149
4-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421279
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421254
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
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794241
4-[4-(3-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793234
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
12,12-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-22-oxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130189303
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran (CID 121421272) is 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran is CC1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4c5ccccc5c(-c5ccccc5-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3)cccc21.
What is the InChIKey of 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is CRHPCQRTJVJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O/c1-57(2)50-27-14-26-41(56(50)49-32-35-15-3-4-16-36(35)34-51(49)57)37-17-13-18-39(31-37)54-44-22-7-9-24-46(44)55(47-25-10-8-23-45(47)54)43-21-6-5-19-40(43)38-29-30-53-48(33-38)42-20-11-12-28-52(42)58-53/h3-34H,1-2H3.
What are the key properties of 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran?
2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 738.93 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 121421272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).