2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene

C58H38S — CID 89025419

IUPAC2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene
SMILESc1ccc(-c2ccc(Sc3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccccc7)ccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H38S/c1-4-16-39(17-5-1)41-32-35-46(36-33-41)59-58-52-26-14-12-24-49(52)56(50-25-13-15-27-53(50)58)44-30-28-43(29-31-44)55-47-22-10-11-23-48(47)57(42-20-8-3-9-21-42)54-38-45(34-37-51(54)55)40-18-6-2-7-19-40/h1-38H
InChIKeyHCPDZJOJUOWZHO-UHFFFAOYSA-N
MW767.01 g/mol
LogP16.79
Rot. Bonds7

About 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene

2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene (PubChem CID 89025419) has the molecular formula C58H38S and a molecular weight of 767.01 g/mol. Its IUPAC name is 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene.

Molecular Properties

Compound Name2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene
PubChem CID89025419
Molecular FormulaC58H38S
Molecular Weight767.01 g/mol
Exact Mass766.27
IUPAC Name2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene
SMILESc1ccc(-c2ccc(Sc3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccccc7)ccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H38S/c1-4-16-39(17-5-1)41-32-35-46(36-33-41)59-58-52-26-14-12-24-49(52)56(50-25-13-15-27-53(50)58)44-30-28-43(29-31-44)55-47-22-10-11-23-48(47)57(42-20-8-3-9-21-42)54-38-45(34-37-51(54)55)40-18-6-2-7-19-40/h1-38H
InChIKeyHCPDZJOJUOWZHO-UHFFFAOYSA-N
XLogP16.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.01
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene?
The IUPAC name of 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene (CID 89025419) is 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene.
What is the SMILES notation for 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene?
The canonical SMILES for 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene is c1ccc(-c2ccc(Sc3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccccc7)ccc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene?
The InChIKey is HCPDZJOJUOWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38S/c1-4-16-39(17-5-1)41-32-35-46(36-33-41)59-58-52-26-14-12-24-49(52)56(50-25-13-15-27-53(50)58)44-30-28-43(29-31-44)55-47-22-10-11-23-48(47)57(42-20-8-3-9-21-42)54-38-45(34-37-51(54)55)40-18-6-2-7-19-40/h1-38H.
What are the key properties of 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene?
2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene has a molecular weight of 767.01 g/mol, XLogP of 16.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene is sourced from PubChem (CID 89025419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).