2,3,9,10-tetrabromopentacene

C22H10Br4 — CID 90775518

IUPAC2,3,9,10-tetrabromopentacene
SMILESBrc1cc2cc3cc4cc5cc(Br)c(Br)cc5cc4cc3cc2cc1Br
InChIInChI=1S/C22H10Br4/c23-19-7-15-3-11-1-12-4-16-8-20(24)22(26)10-18(16)6-14(12)2-13(11)5-17(15)9-21(19)25/h1-10H
InChIKeyMPFCMSICMIIHPL-UHFFFAOYSA-N
MW593.94 g/mol
LogP9.35
Rot. Bonds

About 2,3,9,10-tetrabromopentacene

2,3,9,10-tetrabromopentacene (PubChem CID 90775518) has the molecular formula C22H10Br4 and a molecular weight of 593.94 g/mol. Its IUPAC name is 2,3,9,10-tetrabromopentacene.

Molecular Properties

Compound Name2,3,9,10-tetrabromopentacene
PubChem CID90775518
Molecular FormulaC22H10Br4
Molecular Weight593.94 g/mol
Exact Mass589.75
IUPAC Name2,3,9,10-tetrabromopentacene
SMILESBrc1cc2cc3cc4cc5cc(Br)c(Br)cc5cc4cc3cc2cc1Br
InChIInChI=1S/C22H10Br4/c23-19-7-15-3-11-1-12-4-16-8-20(24)22(26)10-18(16)6-14(12)2-13(11)5-17(15)9-21(19)25/h1-10H
InChIKeyMPFCMSICMIIHPL-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.94
LogP ≤ 59.35
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

6-Bromobenzo(a)pyrene
CID 30545
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
7-Bromobenz(a)anthracene
CID 72849
1-Bromopyrene
CID 159627
9-Bromo-10-phenyl-anthracene
CID 4155836
1,3,6,8-Tetrabromopyrene
CID 67188
9-Bromo-10-methylanthracene
CID 5077898
2-Bromoanthracene
CID 12346099
3-Bromophenanthrene
CID 96767
2,2'-Dibromo-1,1'-binaphthyl
CID 619909
(+-)-2,2'-Bis(dibromomethyl)-1,1'-binaphthyl
CID 4419126

Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetrabromopentacene?
The IUPAC name of 2,3,9,10-tetrabromopentacene (CID 90775518) is 2,3,9,10-tetrabromopentacene.
What is the SMILES notation for 2,3,9,10-tetrabromopentacene?
The canonical SMILES for 2,3,9,10-tetrabromopentacene is Brc1cc2cc3cc4cc5cc(Br)c(Br)cc5cc4cc3cc2cc1Br.
What is the InChIKey of 2,3,9,10-tetrabromopentacene?
The InChIKey is MPFCMSICMIIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Br4/c23-19-7-15-3-11-1-12-4-16-8-20(24)22(26)10-18(16)6-14(12)2-13(11)5-17(15)9-21(19)25/h1-10H.
What are the key properties of 2,3,9,10-tetrabromopentacene?
2,3,9,10-tetrabromopentacene has a molecular weight of 593.94 g/mol, XLogP of 9.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetrabromopentacene is sourced from PubChem (CID 90775518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).