2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene

C48H30 — CID 143896786

IUPAC2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
SMILESc1ccc2c(-c3ccc4c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6cccc7ccccc67)ccc5cc4c3)cccc2c1
InChIInChI=1S/C48H30/c1-4-14-40-31(9-1)12-7-17-43(40)35-23-26-46-39(28-35)29-36-21-22-37(44-18-8-13-32-10-2-5-15-41(32)44)30-47(36)48(46)38-24-25-45-34(27-38)20-19-33-11-3-6-16-42(33)45/h1-30H
InChIKeyOVGJXSSLHJTVRH-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene

2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene (PubChem CID 143896786) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene.

Molecular Properties

Compound Name2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
PubChem CID143896786
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
SMILESc1ccc2c(-c3ccc4c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6cccc7ccccc67)ccc5cc4c3)cccc2c1
InChIInChI=1S/C48H30/c1-4-14-40-31(9-1)12-7-17-43(40)35-23-26-46-39(28-35)29-36-21-22-37(44-18-8-13-32-10-2-5-15-41(32)44)30-47(36)48(46)38-24-25-45-34(27-38)20-19-33-11-3-6-16-42(33)45/h1-30H
InChIKeyOVGJXSSLHJTVRH-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
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-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
CID 143896847
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
ethane;2-naphthalen-1-ylanthracene;9-naphthalen-1-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;1-naphthalen-2-ylnaphthalene
CID 160511945
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene?
The IUPAC name of 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene (CID 143896786) is 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene.
What is the SMILES notation for 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene?
The canonical SMILES for 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene is c1ccc2c(-c3ccc4c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6cccc7ccccc67)ccc5cc4c3)cccc2c1.
What is the InChIKey of 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene?
The InChIKey is OVGJXSSLHJTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-4-14-40-31(9-1)12-7-17-43(40)35-23-26-46-39(28-35)29-36-21-22-37(44-18-8-13-32-10-2-5-15-41(32)44)30-47(36)48(46)38-24-25-45-34(27-38)20-19-33-11-3-6-16-42(33)45/h1-30H.
What are the key properties of 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene?
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene is sourced from PubChem (CID 143896786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).