9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene

C48H30 — CID 58194365

IUPAC9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
SMILESc1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7ccc8ccccc8c7c6)c6ccccc56)ccc4c3)ccc2c1
InChIInChI=1S/C48H30/c1-2-11-34-27-35(21-17-31(34)9-1)36-22-23-38-29-39(26-24-37(38)28-36)47-42-13-5-7-15-44(42)48(45-16-8-6-14-43(45)47)40-25-20-33-19-18-32-10-3-4-12-41(32)46(33)30-40/h1-30H
InChIKeyGEJWSFGTQPNMHU-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene

9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene (PubChem CID 58194365) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene.

Molecular Properties

Compound Name9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
PubChem CID58194365
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
SMILESc1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7ccc8ccccc8c7c6)c6ccccc56)ccc4c3)ccc2c1
InChIInChI=1S/C48H30/c1-2-11-34-27-35(21-17-31(34)9-1)36-22-23-38-29-39(26-24-37(38)28-36)47-42-13-5-7-15-44(42)48(45-16-8-6-14-43(45)47)40-25-20-33-19-18-32-10-3-4-12-41(32)46(33)30-40/h1-30H
InChIKeyGEJWSFGTQPNMHU-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-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197

Frequently Asked Questions

What is the IUPAC name of 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene?
The IUPAC name of 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene (CID 58194365) is 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene.
What is the SMILES notation for 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene?
The canonical SMILES for 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene is c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7ccc8ccccc8c7c6)c6ccccc56)ccc4c3)ccc2c1.
What is the InChIKey of 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene?
The InChIKey is GEJWSFGTQPNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-11-34-27-35(21-17-31(34)9-1)36-22-23-38-29-39(26-24-37(38)28-36)47-42-13-5-7-15-44(42)48(45-16-8-6-14-43(45)47)40-25-20-33-19-18-32-10-3-4-12-41(32)46(33)30-40/h1-30H.
What are the key properties of 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene?
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-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 9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene is sourced from PubChem (CID 58194365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).