5-phenoxy-12-phenyltetracene

C30H20O — CID 59758379

IUPAC5-phenoxy-12-phenyltetracene
SMILESc1ccc(Oc2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C30H20O/c1-3-11-21(12-4-1)29-25-17-9-10-18-26(25)30(31-24-15-5-2-6-16-24)28-20-23-14-8-7-13-22(23)19-27(28)29/h1-20H
InChIKeyJJCKCWXMMUOUST-UHFFFAOYSA-N
MW396.49 g/mol
LogP8.61
Rot. Bonds3

About 5-phenoxy-12-phenyltetracene

5-phenoxy-12-phenyltetracene (PubChem CID 59758379) has the molecular formula C30H20O and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-phenoxy-12-phenyltetracene.

Molecular Properties

Compound Name5-phenoxy-12-phenyltetracene
PubChem CID59758379
Molecular FormulaC30H20O
Molecular Weight396.49 g/mol
Exact Mass396.15
IUPAC Name5-phenoxy-12-phenyltetracene
SMILESc1ccc(Oc2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C30H20O/c1-3-11-21(12-4-1)29-25-17-9-10-18-26(25)30(31-24-15-5-2-6-16-24)28-20-23-14-8-7-13-22(23)19-27(28)29/h1-20H
InChIKeyJJCKCWXMMUOUST-UHFFFAOYSA-N
XLogP8.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 58.61
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

5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene
CID 169224916
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
CID 58971187
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
9-(3-phenylphenoxy)anthracene
CID 86096458

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-12-phenyltetracene?
The IUPAC name of 5-phenoxy-12-phenyltetracene (CID 59758379) is 5-phenoxy-12-phenyltetracene.
What is the SMILES notation for 5-phenoxy-12-phenyltetracene?
The canonical SMILES for 5-phenoxy-12-phenyltetracene is c1ccc(Oc2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 5-phenoxy-12-phenyltetracene?
The InChIKey is JJCKCWXMMUOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O/c1-3-11-21(12-4-1)29-25-17-9-10-18-26(25)30(31-24-15-5-2-6-16-24)28-20-23-14-8-7-13-22(23)19-27(28)29/h1-20H.
What are the key properties of 5-phenoxy-12-phenyltetracene?
5-phenoxy-12-phenyltetracene has a molecular weight of 396.49 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-12-phenyltetracene is sourced from PubChem (CID 59758379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).