2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene

C44H28 — CID 59583037

IUPAC2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H28/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)32-26-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)42(37)28-32/h1-28H
InChIKeyDAISYAPLXVKWGC-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene

2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene (PubChem CID 59583037) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
PubChem CID59583037
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H28/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)32-26-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)42(37)28-32/h1-28H
InChIKeyDAISYAPLXVKWGC-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
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
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene (CID 59583037) is 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene?
The InChIKey is DAISYAPLXVKWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)32-26-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)42(37)28-32/h1-28H.
What are the key properties of 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene?
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene is sourced from PubChem (CID 59583037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).