ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene

C56H46 — CID 143848419

IUPACethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene
SMILESC=Cc1cc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)c2)c2c(c1CC)CCC=C2.CC
InChIInChI=1S/C54H40.C2H6/c1-3-35-33-52(45-22-9-7-20-43(45)41(35)4-2)38-17-15-18-40(32-38)54-49-26-13-11-24-47(49)53(48-25-12-14-27-50(48)54)37-30-28-36(29-31-37)51-34-39-16-5-6-19-42(39)44-21-8-10-23-46(44)51;1-2/h3,5-6,8-19,21-34H,1,4,7,20H2,2H3;1-2H3
InChIKeyXMYBHMGENMVWDR-UHFFFAOYSA-N
MW718.98 g/mol
LogP16.16
Rot. Bonds6

About ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene

ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene (PubChem CID 143848419) has the molecular formula C56H46 and a molecular weight of 718.98 g/mol. Its IUPAC name is ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

Compound Nameethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene
PubChem CID143848419
Molecular FormulaC56H46
Molecular Weight718.98 g/mol
Exact Mass718.36
IUPAC Nameethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene
SMILESC=Cc1cc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)c2)c2c(c1CC)CCC=C2.CC
InChIInChI=1S/C54H40.C2H6/c1-3-35-33-52(45-22-9-7-20-43(45)41(35)4-2)38-17-15-18-40(32-38)54-49-26-13-11-24-47(49)53(48-25-12-14-27-50(48)54)37-30-28-36(29-31-37)51-34-39-16-5-6-19-42(39)44-21-8-10-23-46(44)51;1-2/h3,5-6,8-19,21-34H,1,4,7,20H2,2H3;1-2H3
InChIKeyXMYBHMGENMVWDR-UHFFFAOYSA-N
XLogP16.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.98
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
9-[4-[3-[4-[3,4-bis(ethenyl)naphthalen-1-yl]-2-methylphenyl]phenyl]-3-methylphenyl]phenanthrene
CID 143742640
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
9-phenyl-10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracene
CID 145174557
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
4-[3-[3,4-bis(ethenyl)naphthalen-1-yl]phenyl]-2-(3-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 144860255

Frequently Asked Questions

What is the IUPAC name of ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene?
The IUPAC name of ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene (CID 143848419) is ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene.
What is the SMILES notation for ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene?
The canonical SMILES for ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene is C=Cc1cc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)c2)c2c(c1CC)CCC=C2.CC.
What is the InChIKey of ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene?
The InChIKey is XMYBHMGENMVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40.C2H6/c1-3-35-33-52(45-22-9-7-20-43(45)41(35)4-2)38-17-15-18-40(32-38)54-49-26-13-11-24-47(49)53(48-25-12-14-27-50(48)54)37-30-28-36(29-31-37)51-34-39-16-5-6-19-42(39)44-21-8-10-23-46(44)51;1-2/h3,5-6,8-19,21-34H,1,4,7,20H2,2H3;1-2H3.
What are the key properties of ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene?
ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene has a molecular weight of 718.98 g/mol, XLogP of 16.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[3-(3-ethenyl-4-ethyl-5,6-dihydronaphthalen-1-yl)phenyl]-10-(4-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 143848419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).