9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene

C44H28 — CID 58194236

IUPAC9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C44H28/c1-4-17-36-29(11-1)13-10-22-38(36)44-41-20-7-5-18-39(41)43(40-19-6-8-21-42(40)44)34-15-9-14-31(28-34)32-25-26-37-33(27-32)24-23-30-12-2-3-16-35(30)37/h1-28H
InChIKeyXDSFRSSVDZQDTL-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene

9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene (PubChem CID 58194236) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
PubChem CID58194236
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C44H28/c1-4-17-36-29(11-1)13-10-22-38(36)44-41-20-7-5-18-39(41)43(40-19-6-8-21-42(40)44)34-15-9-14-31(28-34)32-25-26-37-33(27-32)24-23-30-12-2-3-16-35(30)37/h1-28H
InChIKeyXDSFRSSVDZQDTL-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
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
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene (CID 58194236) is 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene is c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene?
The InChIKey is XDSFRSSVDZQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-4-17-36-29(11-1)13-10-22-38(36)44-41-20-7-5-18-39(41)43(40-19-6-8-21-42(40)44)34-15-9-14-31(28-34)32-25-26-37-33(27-32)24-23-30-12-2-3-16-35(30)37/h1-28H.
What are the key properties of 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene?
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene is sourced from PubChem (CID 58194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).