1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane

C45H44 — CID 142384733

IUPAC1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane
SMILESC.CC.Cc1cc(C)cc(-c2cccc3c(-c4ccccc4-c4ccccc4)c4cccc(-c5cc(C)cc(C)c5)c4cc23)c1
InChIInChI=1S/C42H34.C2H6.CH4/c1-27-20-28(2)23-32(22-27)35-16-10-18-38-40(35)26-41-36(33-24-29(3)21-30(4)25-33)17-11-19-39(41)42(38)37-15-9-8-14-34(37)31-12-6-5-7-13-31;1-2;/h5-26H,1-4H3;1-2H3;1H4
InChIKeyLGBXJEWVAOTQSJ-UHFFFAOYSA-N
MW584.85 g/mol
LogP13.56
Rot. Bonds4

About 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane

1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane (PubChem CID 142384733) has the molecular formula C45H44 and a molecular weight of 584.85 g/mol. Its IUPAC name is 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane.

Molecular Properties

Compound Name1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane
PubChem CID142384733
Molecular FormulaC45H44
Molecular Weight584.85 g/mol
Exact Mass584.34
IUPAC Name1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane
SMILESC.CC.Cc1cc(C)cc(-c2cccc3c(-c4ccccc4-c4ccccc4)c4cccc(-c5cc(C)cc(C)c5)c4cc23)c1
InChIInChI=1S/C42H34.C2H6.CH4/c1-27-20-28(2)23-32(22-27)35-16-10-18-38-40(35)26-41-36(33-24-29(3)21-30(4)25-33)17-11-19-39(41)42(38)37-15-9-8-14-34(37)31-12-6-5-7-13-31;1-2;/h5-26H,1-4H3;1-2H3;1H4
InChIKeyLGBXJEWVAOTQSJ-UHFFFAOYSA-N
XLogP13.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.85
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane?
The IUPAC name of 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane (CID 142384733) is 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane.
What is the SMILES notation for 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane?
The canonical SMILES for 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane is C.CC.Cc1cc(C)cc(-c2cccc3c(-c4ccccc4-c4ccccc4)c4cccc(-c5cc(C)cc(C)c5)c4cc23)c1.
What is the InChIKey of 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane?
The InChIKey is LGBXJEWVAOTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34.C2H6.CH4/c1-27-20-28(2)23-32(22-27)35-16-10-18-38-40(35)26-41-36(33-24-29(3)21-30(4)25-33)17-11-19-39(41)42(38)37-15-9-8-14-34(37)31-12-6-5-7-13-31;1-2;/h5-26H,1-4H3;1-2H3;1H4.
What are the key properties of 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane?
1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane has a molecular weight of 584.85 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane is sourced from PubChem (CID 142384733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).