2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene

C38H26 — CID 143742939

IUPAC2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
SMILESC=Cc1ccc(-c2ccc3c(ccc4cc(-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1C=C
InChIInChI=1S/C38H26/c1-3-25-13-14-27(21-26(25)4-2)28-17-19-34-30(22-28)15-16-31-23-32(18-20-35(31)34)38-24-29-9-5-6-10-33(29)36-11-7-8-12-37(36)38/h3-24H,1-2H2
InChIKeyQBYHXKCTPYRYKA-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.92
Rot. Bonds4

About 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene

2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene (PubChem CID 143742939) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene.

Molecular Properties

Compound Name2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
PubChem CID143742939
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
SMILESC=Cc1ccc(-c2ccc3c(ccc4cc(-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1C=C
InChIInChI=1S/C38H26/c1-3-25-13-14-27(21-26(25)4-2)28-17-19-34-30(22-28)15-16-31-23-32(18-20-35(31)34)38-24-29-9-5-6-10-33(29)36-11-7-8-12-37(36)38/h3-24H,1-2H2
InChIKeyQBYHXKCTPYRYKA-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.92
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

2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143617537
1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
CID 144673774
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
9,10-bis(ethenyl)-6-(3-phenanthren-9-ylphenyl)-2-phenylphenanthrene
CID 143742613
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
2,3-bis(ethenyl)phenanthrene
CID 144756778
3-phenanthren-9-yl-7-(7-phenanthren-9-ylnaphthalen-2-yl)dibenzofuran
CID 58569881
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
The IUPAC name of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene (CID 143742939) is 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene.
What is the SMILES notation for 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
The canonical SMILES for 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene is C=Cc1ccc(-c2ccc3c(ccc4cc(-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1C=C.
What is the InChIKey of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
The InChIKey is QBYHXKCTPYRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-3-25-13-14-27(21-26(25)4-2)28-17-19-34-30(22-28)15-16-31-23-32(18-20-35(31)34)38-24-29-9-5-6-10-33(29)36-11-7-8-12-37(36)38/h3-24H,1-2H2.
What are the key properties of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene has a molecular weight of 482.63 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene is sourced from PubChem (CID 143742939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).