9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene

C47H36 — CID 123974546

IUPAC9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
SMILESCC(C)c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/C47H36/c1-32(2)33-22-24-34(25-23-33)35-26-28-36(29-27-35)38-14-10-15-39(30-38)40-16-11-17-41(31-40)47-44-20-8-6-18-42(44)46(37-12-4-3-5-13-37)43-19-7-9-21-45(43)47/h3-32H,1-2H3
InChIKeyZURKKKXLHLDOLW-UHFFFAOYSA-N
MW600.81 g/mol
LogP13.45
Rot. Bonds6

About 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene

9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene (PubChem CID 123974546) has the molecular formula C47H36 and a molecular weight of 600.81 g/mol. Its IUPAC name is 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
PubChem CID123974546
Molecular FormulaC47H36
Molecular Weight600.81 g/mol
Exact Mass600.28
IUPAC Name9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
SMILESCC(C)c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/C47H36/c1-32(2)33-22-24-34(25-23-33)35-26-28-36(29-27-35)38-14-10-15-39(30-38)40-16-11-17-41(31-40)47-44-20-8-6-18-42(44)46(37-12-4-3-5-13-37)43-19-7-9-21-45(43)47/h3-32H,1-2H3
InChIKeyZURKKKXLHLDOLW-UHFFFAOYSA-N
XLogP13.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 513.45
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-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
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-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene (CID 123974546) is 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene is CC(C)c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3)cc2)cc1.
What is the InChIKey of 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene?
The InChIKey is ZURKKKXLHLDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36/c1-32(2)33-22-24-34(25-23-33)35-26-28-36(29-27-35)38-14-10-15-39(30-38)40-16-11-17-41(31-40)47-44-20-8-6-18-42(44)46(37-12-4-3-5-13-37)43-19-7-9-21-45(43)47/h3-32H,1-2H3.
What are the key properties of 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene?
9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene has a molecular weight of 600.81 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene is sourced from PubChem (CID 123974546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).