5,12-dichlorotetracene

C18H10Cl2 — CID 87498157

IUPAC5,12-dichlorotetracene
SMILESClc1c2ccccc2c(Cl)c2cc3ccccc3cc12
InChIInChI=1S/C18H10Cl2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H
InChIKeyABSKRMOZCDDGDC-UHFFFAOYSA-N
MW297.18 g/mol
LogP6.45
Rot. Bonds

About 5,12-dichlorotetracene

5,12-dichlorotetracene (PubChem CID 87498157) has the molecular formula C18H10Cl2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 5,12-dichlorotetracene.

Molecular Properties

Compound Name5,12-dichlorotetracene
PubChem CID87498157
Molecular FormulaC18H10Cl2
Molecular Weight297.18 g/mol
Exact Mass296.02
IUPAC Name5,12-dichlorotetracene
SMILESClc1c2ccccc2c(Cl)c2cc3ccccc3cc12
InChIInChI=1S/C18H10Cl2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H
InChIKeyABSKRMOZCDDGDC-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 56.45
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

anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
1,2,10-trichloroanthracene
CID 123180958
1,2,3,4-tetrachloropentacene
CID 87495086
1,2,4-trichloroanthracene
CID 123482034
1,4-dichloroanthracene
CID 3497125
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
1-chlorohexacene
CID 87838951
8,10-dichloro-9,11-difluorobenzo[a]anthracene
CID 13419526
9-chloro-2-methoxyanthracene
CID 139968553
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
9-chloroanthracen-2-amine
CID 44724752

Frequently Asked Questions

What is the IUPAC name of 5,12-dichlorotetracene?
The IUPAC name of 5,12-dichlorotetracene (CID 87498157) is 5,12-dichlorotetracene.
What is the SMILES notation for 5,12-dichlorotetracene?
The canonical SMILES for 5,12-dichlorotetracene is Clc1c2ccccc2c(Cl)c2cc3ccccc3cc12.
What is the InChIKey of 5,12-dichlorotetracene?
The InChIKey is ABSKRMOZCDDGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H.
What are the key properties of 5,12-dichlorotetracene?
5,12-dichlorotetracene has a molecular weight of 297.18 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dichlorotetracene is sourced from PubChem (CID 87498157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).