2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

C44H38O — CID 167651141

IUPAC2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3cccc4ccccc34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4oc5ccccc5c4c3)c2c1C
InChIInChI=1S/C44H38O/c1-23-25(3)29(7)41-39(27(23)5)43(32-20-21-38-36(22-32)34-17-11-12-19-37(34)45-38)40-28(6)24(2)26(4)30(8)42(40)44(41)35-18-13-15-31-14-9-10-16-33(31)35/h9-22H,1-8H3
InChIKeyFRDZUJBTQIRDFO-UHFFFAOYSA-N
MW582.79 g/mol
LogP12.85
Rot. Bonds2

About 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 167651141) has the molecular formula C44H38O and a molecular weight of 582.79 g/mol. Its IUPAC name is 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
PubChem CID167651141
Molecular FormulaC44H38O
Molecular Weight582.79 g/mol
Exact Mass582.29
IUPAC Name2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3cccc4ccccc34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4oc5ccccc5c4c3)c2c1C
InChIInChI=1S/C44H38O/c1-23-25(3)29(7)41-39(27(23)5)43(32-20-21-38-36(22-32)34-17-11-12-19-37(34)45-38)40-28(6)24(2)26(4)30(8)42(40)44(41)35-18-13-15-31-14-9-10-16-33(31)35/h9-22H,1-8H3
InChIKeyFRDZUJBTQIRDFO-UHFFFAOYSA-N
XLogP12.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.79
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran with MolForge

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Related Compounds

2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
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
CID 174010366
CID 174010366
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-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
9-naphthalen-1-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 160732184
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167687087
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-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 122427142
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426272

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (CID 167651141) is 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is Cc1c(C)c(C)c2c(-c3cccc4ccccc34)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-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is FRDZUJBTQIRDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O/c1-23-25(3)29(7)41-39(27(23)5)43(32-20-21-38-36(22-32)34-17-11-12-19-37(34)45-38)40-28(6)24(2)26(4)30(8)42(40)44(41)35-18-13-15-31-14-9-10-16-33(31)35/h9-22H,1-8H3.
What are the key properties of 2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 582.79 g/mol, XLogP of 12.85, 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-naphthalen-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 167651141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).