9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene

C48H30 — CID 123428518

IUPAC9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
SMILESc1ccc2c(-c3ccc4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)cc4c3)cccc2c1
InChIInChI=1S/C48H30/c1-3-15-37-32(12-1)14-11-23-38(37)34-26-24-31-25-27-35(29-36(31)28-34)47-42-19-7-9-21-44(42)48(45-22-10-8-20-43(45)47)46-30-33-13-2-4-16-39(33)40-17-5-6-18-41(40)46/h1-30H
InChIKeyNJKYYRBATKQEAX-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene

9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene (PubChem CID 123428518) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene.

Molecular Properties

Compound Name9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
PubChem CID123428518
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
SMILESc1ccc2c(-c3ccc4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)cc4c3)cccc2c1
InChIInChI=1S/C48H30/c1-3-15-37-32(12-1)14-11-23-38(37)34-26-24-31-25-27-35(29-36(31)28-34)47-42-19-7-9-21-44(42)48(45-22-10-8-20-43(45)47)46-30-33-13-2-4-16-39(33)40-17-5-6-18-41(40)46/h1-30H
InChIKeyNJKYYRBATKQEAX-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

2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene
CID 161455354
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 163943634
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 167623602
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene
CID 58323468
9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 158915055
9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene
CID 161003965
1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
CID 160935690
9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene)
CID 160861379
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

Frequently Asked Questions

What is the IUPAC name of 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene?
The IUPAC name of 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene (CID 123428518) is 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene.
What is the SMILES notation for 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene?
The canonical SMILES for 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene is c1ccc2c(-c3ccc4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)cc4c3)cccc2c1.
What is the InChIKey of 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene?
The InChIKey is NJKYYRBATKQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-15-37-32(12-1)14-11-23-38(37)34-26-24-31-25-27-35(29-36(31)28-34)47-42-19-7-9-21-44(42)48(45-22-10-8-20-43(45)47)46-30-33-13-2-4-16-39(33)40-17-5-6-18-41(40)46/h1-30H.
What are the key properties of 9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene?
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-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-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 123428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).