3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran

C52H38O — CID 167009001

IUPAC3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
SMILESc1cc2c(c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c1)C1(c3ccc4ccccc4c3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H38O/c1-2-11-36-32(10-1)21-23-45-50(36)44-18-9-17-43(51(44)52(45)34-25-30-24-31(27-34)28-35(52)26-30)49-41-15-5-3-13-39(41)48(40-14-4-6-16-42(40)49)33-20-22-38-37-12-7-8-19-46(37)53-47(38)29-33/h1-23,29-31,34-35H,24-28H2
InChIKeyQUYQRIUXASFBMX-UHFFFAOYSA-N
MW678.88 g/mol
LogP14.10
Rot. Bonds2

About 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran

3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran (PubChem CID 167009001) has the molecular formula C52H38O and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
PubChem CID167009001
Molecular FormulaC52H38O
Molecular Weight678.88 g/mol
Exact Mass678.29
IUPAC Name3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
SMILESc1cc2c(c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c1)C1(c3ccc4ccccc4c3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H38O/c1-2-11-36-32(10-1)21-23-45-50(36)44-18-9-17-43(51(44)52(45)34-25-30-24-31(27-34)28-35(52)26-30)49-41-15-5-3-13-39(41)48(40-14-4-6-16-42(40)49)33-20-22-38-37-12-7-8-19-46(37)53-47(38)29-33/h1-23,29-31,34-35H,24-28H2
InChIKeyQUYQRIUXASFBMX-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
2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808964
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
CID 167353660
2,4-diphenyl-6-[3-(3-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353965
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine
CID 168803849
2-(2-methylphenyl)-4-phenyl-6-(7-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 167353759
7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
4-dibenzofuran-4-yl-6-phenyl-2-spiro[adamantane-2,7'-fluoreno[4,3-b][1]benzofuran]-2'-ylpyrimidine
CID 168834527

Frequently Asked Questions

What is the IUPAC name of 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran (CID 167009001) is 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran is c1cc2c(c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c1)C1(c3ccc4ccccc4c3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran?
The InChIKey is QUYQRIUXASFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O/c1-2-11-36-32(10-1)21-23-45-50(36)44-18-9-17-43(51(44)52(45)34-25-30-24-31(27-34)28-35(52)26-30)49-41-15-5-3-13-39(41)48(40-14-4-6-16-42(40)49)33-20-22-38-37-12-7-8-19-46(37)53-47(38)29-33/h1-23,29-31,34-35H,24-28H2.
What are the key properties of 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran?
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-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 3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 167009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).