2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene

C30H16Cl4 — CID 59992702

IUPAC2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene
SMILESClc1ccc(-c2c3ccc(Cl)cc3c(-c3ccc(Cl)cc3)c3cc4ccc(Cl)cc4cc23)cc1
InChIInChI=1S/C30H16Cl4/c31-21-6-1-17(2-7-21)29-25-12-11-24(34)16-28(25)30(18-3-8-22(32)9-4-18)26-14-19-5-10-23(33)13-20(19)15-27(26)29/h1-16H
InChIKeyBCHXIKOXJZBEHE-UHFFFAOYSA-N
MW518.27 g/mol
LogP11.09
Rot. Bonds2

About 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene

2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene (PubChem CID 59992702) has the molecular formula C30H16Cl4 and a molecular weight of 518.27 g/mol. Its IUPAC name is 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene.

Molecular Properties

Compound Name2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene
PubChem CID59992702
Molecular FormulaC30H16Cl4
Molecular Weight518.27 g/mol
Exact Mass516.00
IUPAC Name2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene
SMILESClc1ccc(-c2c3ccc(Cl)cc3c(-c3ccc(Cl)cc3)c3cc4ccc(Cl)cc4cc23)cc1
InChIInChI=1S/C30H16Cl4/c31-21-6-1-17(2-7-21)29-25-12-11-24(34)16-28(25)30(18-3-8-22(32)9-4-18)26-14-19-5-10-23(33)13-20(19)15-27(26)29/h1-16H
InChIKeyBCHXIKOXJZBEHE-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.27
LogP ≤ 511.09
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

2,6-dichlorophenanthrene
CID 123290984
2-chloro-9,10-bis(4-propylphenyl)anthracene
CID 22715362
3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile
CID 134950266
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
2-bromo-7-chlorophenanthrene
CID 177099004
2-chlorobenzo[a]anthracene
CID 23367240
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
CID 159219608
2-chloronaphthalene;naphthalene
CID 159169098
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene?
The IUPAC name of 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene (CID 59992702) is 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene.
What is the SMILES notation for 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene?
The canonical SMILES for 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene is Clc1ccc(-c2c3ccc(Cl)cc3c(-c3ccc(Cl)cc3)c3cc4ccc(Cl)cc4cc23)cc1.
What is the InChIKey of 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene?
The InChIKey is BCHXIKOXJZBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16Cl4/c31-21-6-1-17(2-7-21)29-25-12-11-24(34)16-28(25)30(18-3-8-22(32)9-4-18)26-14-19-5-10-23(33)13-20(19)15-27(26)29/h1-16H.
What are the key properties of 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene?
2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene has a molecular weight of 518.27 g/mol, XLogP of 11.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene is sourced from PubChem (CID 59992702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).