2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran

C57H58O — CID 167347055

IUPAC2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3c(C)c(C)c4c(c3C)c(C)c(C)c3c(C)c(C)c(C)c(C)c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4oc5ccccc5c4c3)c2c1C
InChIInChI=1S/C57H58O/c1-25-26(2)32(8)50-47(31(25)7)37(13)38(14)48-41(17)49(39(15)40(16)51(48)50)57-54-35(11)29(5)27(3)33(9)52(54)56(53-34(10)28(4)30(6)36(12)55(53)57)42-22-23-46-44(24-42)43-20-18-19-21-45(43)58-46/h18-24H,1-17H3
InChIKeyUSHMWYXJNXYEOP-UHFFFAOYSA-N
MW759.09 g/mol
LogP16.78
Rot. Bonds2

About 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran

2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 167347055) has the molecular formula C57H58O and a molecular weight of 759.09 g/mol. Its IUPAC name is 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID167347055
Molecular FormulaC57H58O
Molecular Weight759.09 g/mol
Exact Mass758.45
IUPAC Name2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3c(C)c(C)c4c(c3C)c(C)c(C)c3c(C)c(C)c(C)c(C)c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4oc5ccccc5c4c3)c2c1C
InChIInChI=1S/C57H58O/c1-25-26(2)32(8)50-47(31(25)7)37(13)38(14)48-41(17)49(39(15)40(16)51(48)50)57-54-35(11)29(5)27(3)33(9)52(54)56(53-34(10)28(4)30(6)36(12)55(53)57)42-22-23-46-44(24-42)43-20-18-19-21-45(43)58-46/h18-24H,1-17H3
InChIKeyUSHMWYXJNXYEOP-UHFFFAOYSA-N
XLogP16.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.09
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
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2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
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2-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167669544
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
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CID 58510590
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CID 121307339
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
CID 59282074
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CID 118188503
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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran (CID 167347055) is 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran is Cc1c(C)c(C)c2c(-c3c(C)c(C)c4c(c3C)c(C)c(C)c3c(C)c(C)c(C)c(C)c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4oc5ccccc5c4c3)c2c1C.
What is the InChIKey of 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is USHMWYXJNXYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H58O/c1-25-26(2)32(8)50-47(31(25)7)37(13)38(14)48-41(17)49(39(15)40(16)51(48)50)57-54-35(11)29(5)27(3)33(9)52(54)56(53-34(10)28(4)30(6)36(12)55(53)57)42-22-23-46-44(24-42)43-20-18-19-21-45(43)58-46/h18-24H,1-17H3.
What are the key properties of 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran?
2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 759.09 g/mol, XLogP of 16.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167347055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).