9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene

C64H40 — CID 168786914

IUPAC9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
SMILESc1cc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C64H40/c1-3-24-47-41(17-1)19-14-34-49(47)62-53-28-7-5-26-51(53)61(52-27-6-8-29-54(52)62)46-23-13-22-44(39-46)45-38-37-43-21-16-36-59(60(43)40-45)64-57-32-11-9-30-55(57)63(56-31-10-12-33-58(56)64)50-35-15-20-42-18-2-4-25-48(42)50/h1-40H
InChIKeyDXRAUXXOTMLBIE-UHFFFAOYSA-N
MW809.02 g/mol
LogP18.09
Rot. Bonds5

About 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene

9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene (PubChem CID 168786914) has the molecular formula C64H40 and a molecular weight of 809.02 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
PubChem CID168786914
Molecular FormulaC64H40
Molecular Weight809.02 g/mol
Exact Mass808.31
IUPAC Name9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
SMILESc1cc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C64H40/c1-3-24-47-41(17-1)19-14-34-49(47)62-53-28-7-5-26-51(53)61(52-27-6-8-29-54(52)62)46-23-13-22-44(39-46)45-38-37-43-21-16-36-59(60(43)40-45)64-57-32-11-9-30-55(57)63(56-31-10-12-33-58(56)64)50-35-15-20-42-18-2-4-25-48(42)50/h1-40H
InChIKeyDXRAUXXOTMLBIE-UHFFFAOYSA-N
XLogP18.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.02
LogP ≤ 518.09
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-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
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-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene (CID 168786914) is 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene is c1cc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene?
The InChIKey is DXRAUXXOTMLBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40/c1-3-24-47-41(17-1)19-14-34-49(47)62-53-28-7-5-26-51(53)61(52-27-6-8-29-54(52)62)46-23-13-22-44(39-46)45-38-37-43-21-16-36-59(60(43)40-45)64-57-32-11-9-30-55(57)63(56-31-10-12-33-58(56)64)50-35-15-20-42-18-2-4-25-48(42)50/h1-40H.
What are the key properties of 9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene?
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene has a molecular weight of 809.02 g/mol, XLogP of 18.09, 5 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-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene is sourced from PubChem (CID 168786914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).