2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran

C52H38O — CID 168808964

IUPAC2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c3c(ccc2c1)C1(c2cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc2-3)C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H38O/c1-2-10-37-32(9-1)18-21-45-51(37)43-20-17-34(29-46(43)52(45)35-24-30-23-31(26-35)27-36(52)25-30)50-41-14-5-3-12-39(41)49(40-13-4-6-15-42(40)50)33-19-22-48-44(28-33)38-11-7-8-16-47(38)53-48/h1-22,28-31,35-36H,23-27H2
InChIKeyDLPPVFVKZZETNH-UHFFFAOYSA-N
MW678.88 g/mol
LogP14.10
Rot. Bonds2

About 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran

2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran (PubChem CID 168808964) has the molecular formula C52H38O and a molecular weight of 678.88 g/mol. Its IUPAC name is 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
PubChem CID168808964
Molecular FormulaC52H38O
Molecular Weight678.88 g/mol
Exact Mass678.29
IUPAC Name2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c3c(ccc2c1)C1(c2cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc2-3)C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H38O/c1-2-10-37-32(9-1)18-21-45-51(37)43-20-17-34(29-46(43)52(45)35-24-30-23-31(26-35)27-36(52)25-30)50-41-14-5-3-12-39(41)49(40-13-4-6-15-42(40)50)33-19-22-48-44(28-33)38-11-7-8-16-47(38)53-48/h1-22,28-31,35-36H,23-27H2
InChIKeyDLPPVFVKZZETNH-UHFFFAOYSA-N
XLogP14.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 514.10
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

3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808914
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
CID 167009001
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122426146
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-(2-methylphenyl)-4-phenyl-6-(7-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 167353759
2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674
spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 162698475
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-[4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 121420972

Frequently Asked Questions

What is the IUPAC name of 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran (CID 168808964) is 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran is c1ccc2c3c(ccc2c1)C1(c2cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc2-3)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran?
The InChIKey is DLPPVFVKZZETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O/c1-2-10-37-32(9-1)18-21-45-51(37)43-20-17-34(29-46(43)52(45)35-24-30-23-31(26-35)27-36(52)25-30)50-41-14-5-3-12-39(41)49(40-13-4-6-15-42(40)50)33-19-22-48-44(28-33)38-11-7-8-16-47(38)53-48/h1-22,28-31,35-36H,23-27H2.
What are the key properties of 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran?
2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran has a molecular weight of 678.88 g/mol, XLogP of 14.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 168808964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).