1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene

C56H36 — CID 144673774

IUPAC1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
SMILESC=Cc1ccc2c(ccc3c4cc(-c5ccc6cc(-c7ccc8cc(-c9ccc%10ccc%11ccccc%11c%10c9)ccc8c7)ccc6c5)ccc4ccc23)c1C=C
InChIInChI=1S/C56H36/c1-3-35-23-25-52-51(49(35)4-2)27-28-54-53(52)26-24-38-12-14-48(34-56(38)54)46-22-20-42-30-40(16-18-44(42)32-46)39-15-17-43-31-45(21-19-41(43)29-39)47-13-11-37-10-9-36-7-5-6-8-50(36)55(37)33-47/h3-34H,1-2H2
InChIKeyZWRZMWDWDMNJBA-UHFFFAOYSA-N
MW708.90 g/mol
LogP16.05
Rot. Bonds5

About 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene

1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene (PubChem CID 144673774) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
PubChem CID144673774
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
SMILESC=Cc1ccc2c(ccc3c4cc(-c5ccc6cc(-c7ccc8cc(-c9ccc%10ccc%11ccccc%11c%10c9)ccc8c7)ccc6c5)ccc4ccc23)c1C=C
InChIInChI=1S/C56H36/c1-3-35-23-25-52-51(49(35)4-2)27-28-54-53(52)26-24-38-12-14-48(34-56(38)54)46-22-20-42-30-40(16-18-44(42)32-46)39-15-17-43-31-45(21-19-41(43)29-39)47-13-11-37-10-9-36-7-5-6-8-50(36)55(37)33-47/h3-34H,1-2H2
InChIKeyZWRZMWDWDMNJBA-UHFFFAOYSA-N
XLogP16.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 516.05
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

1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
ethane;2-[6-(6-picen-2-ylnaphthalen-2-yl)naphthalen-2-yl]picene
CID 144660008
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143617537
2-naphthalen-2-ylphenanthrene
CID 90738367
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
2,3-bis(ethenyl)phenanthrene
CID 144756778

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene?
The IUPAC name of 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene (CID 144673774) is 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene.
What is the SMILES notation for 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene?
The canonical SMILES for 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene is C=Cc1ccc2c(ccc3c4cc(-c5ccc6cc(-c7ccc8cc(-c9ccc%10ccc%11ccccc%11c%10c9)ccc8c7)ccc6c5)ccc4ccc23)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene?
The InChIKey is ZWRZMWDWDMNJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-3-35-23-25-52-51(49(35)4-2)27-28-54-53(52)26-24-38-12-14-48(34-56(38)54)46-22-20-42-30-40(16-18-44(42)32-46)39-15-17-43-31-45(21-19-41(43)29-39)47-13-11-37-10-9-36-7-5-6-8-50(36)55(37)33-47/h3-34H,1-2H2.
What are the key properties of 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene?
1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene has a molecular weight of 708.90 g/mol, XLogP of 16.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene is sourced from PubChem (CID 144673774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).