ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene

C41H34 — CID 143743010

IUPACethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
SMILESC=Cc1c(/C=C\C)c(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc2ccc3ccccc3c12.CC
InChIInChI=1S/C39H28.C2H6/c1-3-11-34-31(4-2)39-30(23-22-26-12-5-8-15-33(26)39)25-38(34)28-20-18-27(19-21-28)37-24-29-13-6-7-14-32(29)35-16-9-10-17-36(35)37;1-2/h3-25H,2H2,1H3;1-2H3/b11-3-;
InChIKeyWEJAJJZMRDXZHL-PHXMKGPASA-N
MW526.72 g/mol
LogP12.34
Rot. Bonds4

About ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene

ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene (PubChem CID 143743010) has the molecular formula C41H34 and a molecular weight of 526.72 g/mol. Its IUPAC name is ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene.

Molecular Properties

Compound Nameethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
PubChem CID143743010
Molecular FormulaC41H34
Molecular Weight526.72 g/mol
Exact Mass526.27
IUPAC Nameethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
SMILESC=Cc1c(/C=C\C)c(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc2ccc3ccccc3c12.CC
InChIInChI=1S/C39H28.C2H6/c1-3-11-34-31(4-2)39-30(23-22-26-12-5-8-15-33(26)39)25-38(34)28-20-18-27(19-21-28)37-24-29-13-6-7-14-32(29)35-16-9-10-17-36(35)37;1-2/h3-25H,2H2,1H3;1-2H3/b11-3-;
InChIKeyWEJAJJZMRDXZHL-PHXMKGPASA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
CID 23386729
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
3-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]phenyl]-9-(3-phenanthren-9-ylphenyl)phenanthrene
CID 143808978
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
6-N-(4-chrysen-5-ylphenyl)-6-N-(4-phenylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-2,6-diamine
CID 166860992
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
N-(4-phenanthren-9-ylphenyl)-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-5-amine
CID 177100465
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
3-[9-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]carbazol-3-yl]-9-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]carbazole
CID 88559482
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene?
The IUPAC name of ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene (CID 143743010) is ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene.
What is the SMILES notation for ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene?
The canonical SMILES for ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene is C=Cc1c(/C=C\C)c(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc2ccc3ccccc3c12.CC.
What is the InChIKey of ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene?
The InChIKey is WEJAJJZMRDXZHL-PHXMKGPASA-N. The full InChI is InChI=1S/C39H28.C2H6/c1-3-11-34-31(4-2)39-30(23-22-26-12-5-8-15-33(26)39)25-38(34)28-20-18-27(19-21-28)37-24-29-13-6-7-14-32(29)35-16-9-10-17-36(35)37;1-2/h3-25H,2H2,1H3;1-2H3/b11-3-;.
What are the key properties of ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene?
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene has a molecular weight of 526.72 g/mol, XLogP of 12.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene is sourced from PubChem (CID 143743010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).