5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene

C54H36 — CID 58971187

IUPAC5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C54H36/c1-5-17-37(18-6-1)39-29-31-42(32-30-39)52-46-27-15-16-28-47(46)53(51-34-44-26-14-13-25-43(44)33-50(51)52)54-48(40-21-9-3-10-22-40)35-45(38-19-7-2-8-20-38)36-49(54)41-23-11-4-12-24-41/h1-36H
InChIKeyBDOLMFFITFSUAE-UHFFFAOYSA-N
MW684.88 g/mol
LogP15.15
Rot. Bonds6

About 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene

5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene (PubChem CID 58971187) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene.

Molecular Properties

Compound Name5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
PubChem CID58971187
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C54H36/c1-5-17-37(18-6-1)39-29-31-42(32-30-39)52-46-27-15-16-28-47(46)53(51-34-44-26-14-13-25-43(44)33-50(51)52)54-48(40-21-9-3-10-22-40)35-45(38-19-7-2-8-20-38)36-49(54)41-23-11-4-12-24-41/h1-36H
InChIKeyBDOLMFFITFSUAE-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 515.15
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

5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
5-(2,5-diphenylphenyl)-12-phenyltetracene;5-(3,5-diphenylphenyl)-12-phenyltetracene;5-(2-phenylphenyl)-12-(3-phenylphenyl)tetracene;5-phenyl-12-(2-phenylphenyl)tetracene;5-phenyl-12-(3-phenylphenyl)tetracene
CID 158460442
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
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 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene?
The IUPAC name of 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene (CID 58971187) is 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene.
What is the SMILES notation for 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene?
The canonical SMILES for 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene?
The InChIKey is BDOLMFFITFSUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-5-17-37(18-6-1)39-29-31-42(32-30-39)52-46-27-15-16-28-47(46)53(51-34-44-26-14-13-25-43(44)33-50(51)52)54-48(40-21-9-3-10-22-40)35-45(38-19-7-2-8-20-38)36-49(54)41-23-11-4-12-24-41/h1-36H.
What are the key properties of 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene?
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene has a molecular weight of 684.88 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene is sourced from PubChem (CID 58971187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).