2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran

C69H44O2 — CID 144856928

IUPAC2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran
SMILESCc1ccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4oc4ccccc34)c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4oc4ccccc34)c2c1
InChIInChI=1S/C69H44O2/c1-43-34-37-52-57(40-43)63(45-36-39-54-59(42-45)69(48-24-10-4-11-25-48,49-26-12-5-13-27-49)65-56-31-17-19-33-61(56)71-67(54)65)51-29-15-14-28-50(51)62(52)44-35-38-53-58(41-44)68(46-20-6-2-7-21-46,47-22-8-3-9-23-47)64-55-30-16-18-32-60(55)70-66(53)64/h2-42H,1H3
InChIKeyNMRXRRGAJVRYRA-UHFFFAOYSA-N
MW905.11 g/mol
LogP17.85
Rot. Bonds6

About 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran

2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran (PubChem CID 144856928) has the molecular formula C69H44O2 and a molecular weight of 905.11 g/mol. Its IUPAC name is 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran.

Molecular Properties

Compound Name2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran
PubChem CID144856928
Molecular FormulaC69H44O2
Molecular Weight905.11 g/mol
Exact Mass904.33
IUPAC Name2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran
SMILESCc1ccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4oc4ccccc34)c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4oc4ccccc34)c2c1
InChIInChI=1S/C69H44O2/c1-43-34-37-52-57(40-43)63(45-36-39-54-59(42-45)69(48-24-10-4-11-25-48,49-26-12-5-13-27-49)65-56-31-17-19-33-61(56)71-67(54)65)51-29-15-14-28-50(51)62(52)44-35-38-53-58(41-44)68(46-20-6-2-7-21-46,47-22-8-3-9-23-47)64-55-30-16-18-32-60(55)70-66(53)64/h2-42H,1H3
InChIKeyNMRXRRGAJVRYRA-UHFFFAOYSA-N
XLogP17.85
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.11
LogP ≤ 517.85
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

10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856909
10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856891
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]
CID 126652975
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
N-naphthalen-1-yl-N,10,10-triphenylindeno[1,2-b][1]benzofuran-2-amine
CID 156550128
N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156549425
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856957
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810

Frequently Asked Questions

What is the IUPAC name of 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran?
The IUPAC name of 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran (CID 144856928) is 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran.
What is the SMILES notation for 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran?
The canonical SMILES for 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran is Cc1ccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4oc4ccccc34)c3ccccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4oc4ccccc34)c2c1.
What is the InChIKey of 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran?
The InChIKey is NMRXRRGAJVRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44O2/c1-43-34-37-52-57(40-43)63(45-36-39-54-59(42-45)69(48-24-10-4-11-25-48,49-26-12-5-13-27-49)65-56-31-17-19-33-61(56)71-67(54)65)51-29-15-14-28-50(51)62(52)44-35-38-53-58(41-44)68(46-20-6-2-7-21-46,47-22-8-3-9-23-47)64-55-30-16-18-32-60(55)70-66(53)64/h2-42H,1H3.
What are the key properties of 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran?
2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran has a molecular weight of 905.11 g/mol, XLogP of 17.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran is sourced from PubChem (CID 144856928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).