2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran

C56H40O — CID 59194951

IUPAC2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6oc7ccccc7c6c5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21
InChIInChI=1S/C56H40O/c1-55(2)47-18-10-7-13-37(47)39-25-21-34(31-49(39)55)33-22-27-44-46(29-33)54(36-23-26-40-38-14-8-11-19-48(38)56(3,4)50(40)32-36)43-17-6-5-16-42(43)53(44)35-24-28-52-45(30-35)41-15-9-12-20-51(41)57-52/h5-32H,1-4H3
InChIKeySYTOQEZNLYNYBJ-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.51
Rot. Bonds3

About 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 59194951) has the molecular formula C56H40O and a molecular weight of 728.94 g/mol. Its IUPAC name is 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID59194951
Molecular FormulaC56H40O
Molecular Weight728.94 g/mol
Exact Mass728.31
IUPAC Name2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6oc7ccccc7c6c5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21
InChIInChI=1S/C56H40O/c1-55(2)47-18-10-7-13-37(47)39-25-21-34(31-49(39)55)33-22-27-44-46(29-33)54(36-23-26-40-38-14-8-11-19-48(38)56(3,4)50(40)32-36)43-17-6-5-16-42(43)53(44)35-24-28-52-45(30-35)41-15-9-12-20-51(41)57-52/h5-32H,1-4H3
InChIKeySYTOQEZNLYNYBJ-UHFFFAOYSA-N
XLogP15.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.51
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-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
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-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
CID 160748906
18-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130213645
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
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
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239

Frequently Asked Questions

What is the IUPAC name of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran (CID 59194951) is 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6oc7ccccc7c6c5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.
What is the InChIKey of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is SYTOQEZNLYNYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40O/c1-55(2)47-18-10-7-13-37(47)39-25-21-34(31-49(39)55)33-22-27-44-46(29-33)54(36-23-26-40-38-14-8-11-19-48(38)56(3,4)50(40)32-36)43-17-6-5-16-42(43)53(44)35-24-28-52-45(30-35)41-15-9-12-20-51(41)57-52/h5-32H,1-4H3.
What are the key properties of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran?
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 728.94 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 59194951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).