9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene

C52H38 — CID 171449312

IUPAC9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene
SMILES[2H]c1ccc2cc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4ccc(C(C)C)c5c4-c4ccccc4C5)c4ccccc34)ccc2c1
InChIInChI=1S/C52H38/c1-33(2)38-29-30-48(50-40-19-6-5-17-36(40)32-49(38)50)41-20-8-10-22-43(41)52-46-25-13-11-23-44(46)51(45-24-12-14-26-47(45)52)42-21-9-7-18-39(42)37-28-27-34-15-3-4-16-35(34)31-37/h3-31,33H,32H2,1-2H3/i3D
InChIKeyOXDSVXOGLLKWIP-WFVSFCRTSA-N
MW663.88 g/mol
LogP14.51
Rot. Bonds5

About 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene

9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene (PubChem CID 171449312) has the molecular formula C52H38 and a molecular weight of 663.88 g/mol. Its IUPAC name is 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene
PubChem CID171449312
Molecular FormulaC52H38
Molecular Weight663.88 g/mol
Exact Mass663.30
IUPAC Name9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene
SMILES[2H]c1ccc2cc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4ccc(C(C)C)c5c4-c4ccccc4C5)c4ccccc34)ccc2c1
InChIInChI=1S/C52H38/c1-33(2)38-29-30-48(50-40-19-6-5-17-36(40)32-49(38)50)41-20-8-10-22-43(41)52-46-25-13-11-23-44(46)51(45-24-12-14-26-47(45)52)42-21-9-7-18-39(42)37-28-27-34-15-3-4-16-35(34)31-37/h3-31,33H,32H2,1-2H3/i3D
InChIKeyOXDSVXOGLLKWIP-WFVSFCRTSA-N
XLogP14.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.88
LogP ≤ 514.51
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

1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-propan-2-yldibenzothiophene
CID 171449602
9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene
CID 171449361
2-[4-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-4-propan-2-yldibenzothiophene
CID 171449558
7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
6-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 171449697
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
4-tert-butyl-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449315
2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
CID 140869774
6-deuterio-2-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 171449401
9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 176726854
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzothiophene
CID 171449181
4-deuterio-1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]dibenzothiophene
CID 171449653

Frequently Asked Questions

What is the IUPAC name of 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene?
The IUPAC name of 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene (CID 171449312) is 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene.
What is the SMILES notation for 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene?
The canonical SMILES for 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene is [2H]c1ccc2cc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4ccc(C(C)C)c5c4-c4ccccc4C5)c4ccccc34)ccc2c1.
What is the InChIKey of 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene?
The InChIKey is OXDSVXOGLLKWIP-WFVSFCRTSA-N. The full InChI is InChI=1S/C52H38/c1-33(2)38-29-30-48(50-40-19-6-5-17-36(40)32-49(38)50)41-20-8-10-22-43(41)52-46-25-13-11-23-44(46)51(45-24-12-14-26-47(45)52)42-21-9-7-18-39(42)37-28-27-34-15-3-4-16-35(34)31-37/h3-31,33H,32H2,1-2H3/i3D.
What are the key properties of 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene?
9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene has a molecular weight of 663.88 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(6-deuterionaphthalen-2-yl)phenyl]-10-[2-(1-propan-2-yl-9H-fluoren-4-yl)phenyl]anthracene is sourced from PubChem (CID 171449312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).