1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran

C45H30O — CID 122425655

IUPAC1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)c21
InChIInChI=1S/C45H30O/c1-45(2)37-26-25-27-13-3-4-14-28(27)42(37)36-22-11-21-35(44(36)45)41-31-17-7-5-15-29(31)40(30-16-6-8-18-32(30)41)34-20-12-24-39-43(34)33-19-9-10-23-38(33)46-39/h3-26H,1-2H3
InChIKeyNPMXHEVJFDKMAD-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.69
Rot. Bonds2

About 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran

1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran (PubChem CID 122425655) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
PubChem CID122425655
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)c21
InChIInChI=1S/C45H30O/c1-45(2)37-26-25-27-13-3-4-14-28(27)42(37)36-22-11-21-35(44(36)45)41-31-17-7-5-15-29(31)40(30-16-6-8-18-32(30)41)34-20-12-24-39-43(34)33-19-9-10-23-38(33)46-39/h3-26H,1-2H3
InChIKeyNPMXHEVJFDKMAD-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.69
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

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
12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130189413
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
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
1-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran;1-[10-(6-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 165057953
N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 169285271
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
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
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334387

Frequently Asked Questions

What is the IUPAC name of 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran (CID 122425655) is 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)c21.
What is the InChIKey of 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is NPMXHEVJFDKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)37-26-25-27-13-3-4-14-28(27)42(37)36-22-11-21-35(44(36)45)41-31-17-7-5-15-29(31)40(30-16-6-8-18-32(30)41)34-20-12-24-39-43(34)33-19-9-10-23-38(33)46-39/h3-26H,1-2H3.
What are the key properties of 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran?
1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 586.73 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 122425655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).