ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran

C50H36O — CID 143986146

IUPACethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESCC.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C48H30O.C2H6/c1-2-12-31(13-3-1)35-28-29-42-44(30-35)46(40-18-6-7-19-41(40)47(42)39-21-10-15-32-14-4-5-16-36(32)39)34-26-24-33(25-27-34)37-20-11-22-43-38-17-8-9-23-45(38)49-48(37)43;1-2/h1-30H;1-2H3
InChIKeyAZVVMBTWJWZLBA-UHFFFAOYSA-N
MW652.84 g/mol
LogP14.74
Rot. Bonds4

About ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran

ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 143986146) has the molecular formula C50H36O and a molecular weight of 652.84 g/mol. Its IUPAC name is ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Nameethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID143986146
Molecular FormulaC50H36O
Molecular Weight652.84 g/mol
Exact Mass652.28
IUPAC Nameethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESCC.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C48H30O.C2H6/c1-2-12-31(13-3-1)35-28-29-42-44(30-35)46(40-18-6-7-19-41(40)47(42)39-21-10-15-32-14-4-5-16-36(32)39)34-26-24-33(25-27-34)37-20-11-22-43-38-17-8-9-23-45(38)49-48(37)43;1-2/h1-30H;1-2H3
InChIKeyAZVVMBTWJWZLBA-UHFFFAOYSA-N
XLogP14.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 514.74
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

4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran
CID 165012926
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568839
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 143986146) is ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran is CC.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1.
What is the InChIKey of ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is AZVVMBTWJWZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O.C2H6/c1-2-12-31(13-3-1)35-28-29-42-44(30-35)46(40-18-6-7-19-41(40)47(42)39-21-10-15-32-14-4-5-16-36(32)39)34-26-24-33(25-27-34)37-20-11-22-43-38-17-8-9-23-45(38)49-48(37)43;1-2/h1-30H;1-2H3.
What are the key properties of ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 652.84 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 143986146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).