9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene

C58H38 — CID 59557528

IUPAC9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccc6ccccc6c5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C58H38/c1-3-15-39(16-4-1)47-33-49(45-29-27-41-19-7-9-21-43(41)31-45)37-51(35-47)57-53-23-11-13-25-55(53)58(56-26-14-12-24-54(56)57)52-36-48(40-17-5-2-6-18-40)34-50(38-52)46-30-28-42-20-8-10-22-44(42)32-46/h1-38H
InChIKeyBVDXZBQVNIGHRL-UHFFFAOYSA-N
MW734.94 g/mol
LogP16.30
Rot. Bonds6

About 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene

9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene (PubChem CID 59557528) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene.

Molecular Properties

Compound Name9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
PubChem CID59557528
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccc6ccccc6c5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C58H38/c1-3-15-39(16-4-1)47-33-49(45-29-27-41-19-7-9-21-43(41)31-45)37-51(35-47)57-53-23-11-13-25-55(53)58(56-26-14-12-24-54(56)57)52-36-48(40-17-5-2-6-18-40)34-50(38-52)46-30-28-42-20-8-10-22-44(42)32-46/h1-38H
InChIKeyBVDXZBQVNIGHRL-UHFFFAOYSA-N
XLogP16.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 516.30
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-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
The IUPAC name of 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene (CID 59557528) is 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene.
What is the SMILES notation for 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
The canonical SMILES for 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene is c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccc6ccccc6c5)c4)c4ccccc34)c2)cc1.
What is the InChIKey of 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
The InChIKey is BVDXZBQVNIGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-3-15-39(16-4-1)47-33-49(45-29-27-41-19-7-9-21-43(41)31-45)37-51(35-47)57-53-23-11-13-25-55(53)58(56-26-14-12-24-54(56)57)52-36-48(40-17-5-2-6-18-40)34-50(38-52)46-30-28-42-20-8-10-22-44(42)32-46/h1-38H.
What are the key properties of 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene has a molecular weight of 734.94 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene is sourced from PubChem (CID 59557528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).