9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene

C44H28 — CID 59557532

IUPAC9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-15-30(16-3-1)41-33-18-6-10-22-37(33)43(38-23-11-7-19-34(38)41)44-39-24-12-8-20-35(39)42(36-21-9-13-25-40(36)44)32-27-26-29-14-4-5-17-31(29)28-32/h1-28H
InChIKeyLRSPAPDVQZXVQG-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene

9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene (PubChem CID 59557532) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
PubChem CID59557532
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-15-30(16-3-1)41-33-18-6-10-22-37(33)43(38-23-11-7-19-34(38)41)44-39-24-12-8-20-35(39)42(36-21-9-13-25-40(36)44)32-27-26-29-14-4-5-17-31(29)28-32/h1-28H
InChIKeyLRSPAPDVQZXVQG-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'}

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Related Compounds

9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
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
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene (CID 59557532) is 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene is c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene?
The InChIKey is LRSPAPDVQZXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-15-30(16-3-1)41-33-18-6-10-22-37(33)43(38-23-11-7-19-34(38)41)44-39-24-12-8-20-35(39)42(36-21-9-13-25-40(36)44)32-27-26-29-14-4-5-17-31(29)28-32/h1-28H.
What are the key properties of 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene?
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)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-2-yl-10-(10-phenylanthracen-9-yl)anthracene is sourced from PubChem (CID 59557532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).