5,12-bis(1-phenylnaphthalen-2-yl)tetracene

C50H32 — CID 123352239

IUPAC5,12-bis(1-phenylnaphthalen-2-yl)tetracene
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4ccc5ccccc5c4-c4ccccc4)c4cc5ccccc5cc34)ccc3ccccc23)cc1
InChIInChI=1S/C50H32/c1-3-17-35(18-4-1)47-39-23-11-9-15-33(39)27-29-43(47)49-41-25-13-14-26-42(41)50(46-32-38-22-8-7-21-37(38)31-45(46)49)44-30-28-34-16-10-12-24-40(34)48(44)36-19-5-2-6-20-36/h1-32H
InChIKeyASMURHNUDXSBBA-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 5,12-bis(1-phenylnaphthalen-2-yl)tetracene

5,12-bis(1-phenylnaphthalen-2-yl)tetracene (PubChem CID 123352239) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 5,12-bis(1-phenylnaphthalen-2-yl)tetracene.

Molecular Properties

Compound Name5,12-bis(1-phenylnaphthalen-2-yl)tetracene
PubChem CID123352239
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name5,12-bis(1-phenylnaphthalen-2-yl)tetracene
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4ccc5ccccc5c4-c4ccccc4)c4cc5ccccc5cc34)ccc3ccccc23)cc1
InChIInChI=1S/C50H32/c1-3-17-35(18-4-1)47-39-23-11-9-15-33(39)27-29-43(47)49-41-25-13-14-26-42(41)50(46-32-38-22-8-7-21-37(38)31-45(46)49)44-30-28-34-16-10-12-24-40(34)48(44)36-19-5-2-6-20-36/h1-32H
InChIKeyASMURHNUDXSBBA-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran
CID 88950753
1,2-diphenylnaphthalene
CID 11208267
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
1,2-diphenylbenzene;bis(1,2-diphenylnaphthalene);2,3-diphenylnaphthalene;1,2-diphenylphenanthrene;9,10-diphenylphenanthrene
CID 157199364
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
1,2-diphenylpentacene
CID 22247158
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 140565979

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(1-phenylnaphthalen-2-yl)tetracene?
The IUPAC name of 5,12-bis(1-phenylnaphthalen-2-yl)tetracene (CID 123352239) is 5,12-bis(1-phenylnaphthalen-2-yl)tetracene.
What is the SMILES notation for 5,12-bis(1-phenylnaphthalen-2-yl)tetracene?
The canonical SMILES for 5,12-bis(1-phenylnaphthalen-2-yl)tetracene is c1ccc(-c2c(-c3c4ccccc4c(-c4ccc5ccccc5c4-c4ccccc4)c4cc5ccccc5cc34)ccc3ccccc23)cc1.
What is the InChIKey of 5,12-bis(1-phenylnaphthalen-2-yl)tetracene?
The InChIKey is ASMURHNUDXSBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-17-35(18-4-1)47-39-23-11-9-15-33(39)27-29-43(47)49-41-25-13-14-26-42(41)50(46-32-38-22-8-7-21-37(38)31-45(46)49)44-30-28-34-16-10-12-24-40(34)48(44)36-19-5-2-6-20-36/h1-32H.
What are the key properties of 5,12-bis(1-phenylnaphthalen-2-yl)tetracene?
5,12-bis(1-phenylnaphthalen-2-yl)tetracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(1-phenylnaphthalen-2-yl)tetracene is sourced from PubChem (CID 123352239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).