2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran

C53H34O2 — CID 163945775

IUPAC2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc3oc4ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccc(-c7ccccc7)cc56)cc4c3cc21
InChIInChI=1S/C53H34O2/c1-53(2)45-18-10-8-14-35(45)40-30-50-43(29-46(40)53)42-28-34(22-25-49(42)55-50)52-38-17-7-6-16-37(38)51(39-23-20-32(26-44(39)52)31-12-4-3-5-13-31)33-21-24-48-41(27-33)36-15-9-11-19-47(36)54-48/h3-30H,1-2H3
InChIKeyRUYFBVKYWNKQAA-UHFFFAOYSA-N
MW702.85 g/mol
LogP15.10
Rot. Bonds3

About 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran

2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran (PubChem CID 163945775) has the molecular formula C53H34O2 and a molecular weight of 702.85 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
PubChem CID163945775
Molecular FormulaC53H34O2
Molecular Weight702.85 g/mol
Exact Mass702.26
IUPAC Name2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc3oc4ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccc(-c7ccccc7)cc56)cc4c3cc21
InChIInChI=1S/C53H34O2/c1-53(2)45-18-10-8-14-35(45)40-30-50-43(29-46(40)53)42-28-34(22-25-49(42)55-50)52-38-17-7-6-16-37(38)51(39-23-20-32(26-44(39)52)31-12-4-3-5-13-31)33-21-24-48-41(27-33)36-15-9-11-19-47(36)54-48/h3-30H,1-2H3
InChIKeyRUYFBVKYWNKQAA-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.85
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
2-[4-[10-(1-benzofuran-3-yl)anthracen-9-yl]phenyl]-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 176742436
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-phenylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 160716890
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122493607
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran?
The IUPAC name of 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran (CID 163945775) is 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran?
The canonical SMILES for 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran is CC1(C)c2ccccc2-c2cc3oc4ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccc(-c7ccccc7)cc56)cc4c3cc21.
What is the InChIKey of 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran?
The InChIKey is RUYFBVKYWNKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O2/c1-53(2)45-18-10-8-14-35(45)40-30-50-43(29-46(40)53)42-28-34(22-25-49(42)55-50)52-38-17-7-6-16-37(38)51(39-23-20-32(26-44(39)52)31-12-4-3-5-13-31)33-21-24-48-41(27-33)36-15-9-11-19-47(36)54-48/h3-30H,1-2H3.
What are the key properties of 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran?
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran has a molecular weight of 702.85 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran is sourced from PubChem (CID 163945775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).